2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide

C13H9ClN2OS — CID 41340467

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2OS/c14-12-6-5-10(18-12)7-13(17)16-11-4-2-1-3-9(11)8-15/h1-6H,7H2,(H,16,17)
InChIKeyYEWCWRLQLBADNQ-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.45
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide

2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide (PubChem CID 41340467) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
PubChem CID41340467
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C13H9ClN2OS/c14-12-6-5-10(18-12)7-13(17)16-11-4-2-1-3-9(11)8-15/h1-6H,7H2,(H,16,17)
InChIKeyYEWCWRLQLBADNQ-UHFFFAOYSA-N
XLogP3.45
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
2-(5-chlorothiophen-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41340579
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686435
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
CID 41340452
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
N-(3-chlorophenyl)-N'-(2-cyanophenyl)propanediamide
CID 108955002
(2-cyanophenyl)urea
CID 13155570

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide (CID 41340467) is 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide is N#Cc1ccccc1NC(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide?
The InChIKey is YEWCWRLQLBADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-12-6-5-10(18-12)7-13(17)16-11-4-2-1-3-9(11)8-15/h1-6H,7H2,(H,16,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide has a molecular weight of 276.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 41340467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).