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N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure
Fine Chemical

N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 1022311-24-5) is a chemical compound with molecular formula C23H27FN2O5S2 and molecular weight 494.13455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(1,1-dioxothiolan-3-yl)-2-[2-(4-fluorophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Also Known As: N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)-2-{[2-(4-FLUOROPHENOXY)PROPANOYL]AMINO}-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-(4-fluorophenoxy)propanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, N-(1,1-dioxothiolan-3-yl)-2-[2-(4-fluorophenoxy)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS Number
1022311-24-5
Molecular Formula
C23H27FN2O5S2
Molecular Weight
494.13455 g/mol
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Technical Specifications

Molecular FormulaC23H27FN2O5S2
Molecular Weight494.13455 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)138.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass494.13455 Da
Heavy Atoms33
Complexity827.0
SMILESCC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C(C)OC4=CC=C(C=C4)F
InChIKeyUKSMXHCDOPSMEB-UHFFFAOYSA-N

Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

XLogP
4.4
TPSA (Topological Polar Surface Area)
138.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
33
Complexity
827.0
Exact Mass
494.13455
Monoisotopic Mass
494.13455
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

The XLogP value of 4.4 indicates that N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 1022311-24-5.

What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C23H27FN2O5S2.

What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 494.13455 g/mol.

Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

Yes, CoreyChem provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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