4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide

C13H16ClNO2S — CID 2390762

IUPAC4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC1CCCC1
InChIInChI=1S/C13H16ClNO2S/c14-12-7-6-11(18-12)10(16)5-8-13(17)15-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,15,17)
InChIKeyXVKUOPJCETVDGL-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.42
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide (PubChem CID 2390762) has the molecular formula C13H16ClNO2S and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide
PubChem CID2390762
Molecular FormulaC13H16ClNO2S
Molecular Weight285.80 g/mol
Exact Mass285.06
IUPAC Name4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NC1CCCC1
InChIInChI=1S/C13H16ClNO2S/c14-12-7-6-11(18-12)10(16)5-8-13(17)15-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,15,17)
InChIKeyXVKUOPJCETVDGL-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide 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 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide (CID 2390762) is 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)NC1CCCC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide?
The InChIKey is XVKUOPJCETVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2S/c14-12-7-6-11(18-12)10(16)5-8-13(17)15-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,15,17).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide has a molecular weight of 285.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-cyclopentyl-4-oxobutanamide is sourced from PubChem (CID 2390762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).