4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide

C17H16ClNO2S — CID 38168905

IUPAC4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
SMILESCSc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-22-16-5-3-2-4-14(16)19-17(21)11-10-15(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyGHYQSEMSWVUUNJ-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.66
Rot. Bonds6

About 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide (PubChem CID 38168905) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
PubChem CID38168905
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC Name4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
SMILESCSc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-22-16-5-3-2-4-14(16)19-17(21)11-10-15(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyGHYQSEMSWVUUNJ-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-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

4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 4806218
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7265443

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide (CID 38168905) is 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide is CSc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide?
The InChIKey is GHYQSEMSWVUUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-22-16-5-3-2-4-14(16)19-17(21)11-10-15(20)12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide has a molecular weight of 333.84 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide is sourced from PubChem (CID 38168905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).