N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide

C17H16ClNO2S — CID 26665399

IUPACN-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUQQMTYPGVJNJCQ-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.66
Rot. Bonds6

About N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide

N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide (PubChem CID 26665399) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
PubChem CID26665399
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC NameN-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyUQQMTYPGVJNJCQ-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 N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide 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-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
N-(4-acetylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 26465630
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
CID 60593778
methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 35575333
[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide (CID 26665399) is N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide is CC(=O)c1ccc(NC(=O)CCSc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide?
The InChIKey is UQQMTYPGVJNJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-12(20)13-6-8-14(9-7-13)19-17(21)10-11-22-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide?
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide 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 N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 26665399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).