4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide

C17H17ClN2O2S — CID 9153985

IUPAC4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
SMILESCSc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-23-15-8-6-14(7-9-15)20-16(21)10-11-19-17(22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQAQGDFZDWOXBPP-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.82
Rot. Bonds6

About 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide (PubChem CID 9153985) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
PubChem CID9153985
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide
SMILESCSc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-23-15-8-6-14(7-9-15)20-16(21)10-11-19-17(22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyQAQGDFZDWOXBPP-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide 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

methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
4-chloro-N-[3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55510352
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370
N-[4-(4-chloroanilino)-4-oxobutyl]-3,4,5-triethoxybenzamide
CID 55862973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide (CID 9153985) is 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide is CSc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide?
The InChIKey is QAQGDFZDWOXBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-23-15-8-6-14(7-9-15)20-16(21)10-11-19-17(22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide has a molecular weight of 348.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-methylsulfanylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 9153985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).