N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide

C17H15ClN2O3S — CID 2402923

IUPACN-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-11(21)19-14-6-8-15(9-7-14)24-10-16(22)20-17(23)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyDEJJZOMGYDTNFP-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide

N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide (PubChem CID 2402923) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide
PubChem CID2402923
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC NameN-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/c1-11(21)19-14-6-8-15(9-7-14)24-10-16(22)20-17(23)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyDEJJZOMGYDTNFP-UHFFFAOYSA-N
XLogP3.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide 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 N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide (CID 2402923) is N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide is CC(=O)Nc1ccc(SCC(=O)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide?
The InChIKey is DEJJZOMGYDTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11(21)19-14-6-8-15(9-7-14)24-10-16(22)20-17(23)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide?
N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide has a molecular weight of 362.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)sulfanylacetyl]-4-chlorobenzamide is sourced from PubChem (CID 2402923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).