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(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide structure
Fine Chemical

(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide

TL;DR: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide (CAS 1322234-31-0) is a chemical compound with molecular formula C18H17Cl3N4O3S2 and molecular weight 505.98077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide

Also Known As: (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)prop-2-enamide, (2E)-3-phenyl-N-[2,2,2-trichloro-1-({[(4-sulfamoylphenyl)amino]thioxomethyl}am ino)ethyl]prop-2-enamide, N-{1-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-2,2,2-trichloroethyl}-3-phenylacrylamide

CAS Number
1322234-31-0
Molecular Formula
C18H17Cl3N4O3S2
Molecular Weight
505.98077 g/mol
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Technical Specifications

Molecular FormulaC18H17Cl3N4O3S2
Molecular Weight505.98077 g/mol
XLogP3.5
Topological Polar Surface Area (TPSA)154.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors5
Rotatable Bonds6
Exact Mass505.98077 Da
Heavy Atoms30
Complexity724.0
SMILESC1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
InChIKeyBXZSOEMLZDCVBE-IZZDOVSWSA-N

Chemical Property Profile of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide

XLogP
3.5
TPSA (Topological Polar Surface Area)
154.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
30
Complexity
724.0
Exact Mass
505.98077
Monoisotopic Mass
505.98077
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 (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide

The XLogP value of 3.5 indicates that (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide?

The CAS number of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 1322234-31-0.

What is the molecular formula of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide?

The molecular formula of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is C18H17Cl3N4O3S2.

What is the molecular weight of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide?

The molecular weight of (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide is 505.98077 g/mol.

Where can I buy (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide?

You can request a quote for (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide?

Yes, CoreyChem provides custom synthesis services for (E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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