N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C15H14ClNO2S — CID 39754436

IUPACN-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C15H14ClNO2S/c1-10-6-8-14(20-10)13(18)7-9-15(19)17-12-5-3-2-4-11(12)16/h2-6,8H,7,9H2,1H3,(H,17,19)
InChIKeyJHWVUYKZPZDNTI-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.31
Rot. Bonds5

About N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 39754436) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID39754436
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ccccc2Cl)s1
InChIInChI=1S/C15H14ClNO2S/c1-10-6-8-14(20-10)13(18)7-9-15(19)17-12-5-3-2-4-11(12)16/h2-6,8H,7,9H2,1H3,(H,17,19)
InChIKeyJHWVUYKZPZDNTI-UHFFFAOYSA-N
XLogP4.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-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

Related Compounds

N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 33251204
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-propoxyphenyl)butanamide
CID 30235975
4-(5-methylthiophen-2-yl)-4-oxo-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 78878756
4-(5-methylthiophen-2-yl)-4-oxo-N-(2,3,4-trifluorophenyl)butanamide
CID 78802755
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091
N-(4-bromo-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46600478
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 25276476
N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 39754436) is N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ccccc2Cl)s1.
What is the InChIKey of N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is JHWVUYKZPZDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-10-6-8-14(20-10)13(18)7-9-15(19)17-12-5-3-2-4-11(12)16/h2-6,8H,7,9H2,1H3,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 307.80 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 39754436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).