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
| Molecular Formula | C23H27FN2O5S2 |
| Molecular Weight | 494.13455 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.13455 Da |
| Heavy Atoms | 33 |
| Complexity | 827.0 |
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C(C)OC4=CC=C(C=C4)F |
| InChIKey | UKSMXHCDOPSMEB-UHFFFAOYSA-N |
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.
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.
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.
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.
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