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

C15H13ClN2OS — CID 17173428

IUPAC2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)Cc2ccccc2Cl)c(C#N)c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15(12(9)8-17)18-14(19)7-11-5-3-4-6-13(11)16/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyJCIUEHVLSGYRQL-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.07
Rot. Bonds3

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

2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (PubChem CID 17173428) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
PubChem CID17173428
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)Cc2ccccc2Cl)c(C#N)c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15(12(9)8-17)18-14(19)7-11-5-3-4-6-13(11)16/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyJCIUEHVLSGYRQL-UHFFFAOYSA-N
XLogP4.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide (CID 17173428) is 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)Cc2ccccc2Cl)c(C#N)c1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
The InChIKey is JCIUEHVLSGYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-10(2)20-15(12(9)8-17)18-14(19)7-11-5-3-4-6-13(11)16/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide?
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 17173428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).