2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

C15H13ClN2O3S2 — CID 7287169

IUPAC2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C
InChIInChI=1S/C15H13ClN2O3S2/c1-9-10(2)22-15(13(9)7-17)18-14(19)8-23(20,21)12-5-3-11(16)4-6-12/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyKAUHCPFUDPBVKL-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 7287169) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID7287169
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C
InChIInChI=1S/C15H13ClN2O3S2/c1-9-10(2)22-15(13(9)7-17)18-14(19)8-23(20,21)12-5-3-11(16)4-6-12/h3-6H,8H2,1-2H3,(H,18,19)
InChIKeyKAUHCPFUDPBVKL-UHFFFAOYSA-N
XLogP3.30
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 7287169) is 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is KAUHCPFUDPBVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-9-10(2)22-15(13(9)7-17)18-14(19)8-23(20,21)12-5-3-11(16)4-6-12/h3-6H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 368.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 7287169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).