N-(3-cyanophenyl)-2-phenylsulfanylacetamide

C15H12N2OS — CID 894960

IUPACN-(3-cyanophenyl)-2-phenylsulfanylacetamide
SMILESN#Cc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C15H12N2OS/c16-10-12-5-4-6-13(9-12)17-15(18)11-19-14-7-2-1-3-8-14/h1-9H,11H2,(H,17,18)
InChIKeyPGXPXEVXEVNKKU-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.29
Rot. Bonds4

About N-(3-cyanophenyl)-2-phenylsulfanylacetamide

N-(3-cyanophenyl)-2-phenylsulfanylacetamide (PubChem CID 894960) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-phenylsulfanylacetamide
PubChem CID894960
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(3-cyanophenyl)-2-phenylsulfanylacetamide
SMILESN#Cc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C15H12N2OS/c16-10-12-5-4-6-13(9-12)17-15(18)11-19-14-7-2-1-3-8-14/h1-9H,11H2,(H,17,18)
InChIKeyPGXPXEVXEVNKKU-UHFFFAOYSA-N
XLogP3.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanophenyl)-2-phenylsulfanylacetamide 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-(3-cyanophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-phenylsulfanylacetamide (CID 894960) is N-(3-cyanophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-phenylsulfanylacetamide is N#Cc1cccc(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-phenylsulfanylacetamide?
The InChIKey is PGXPXEVXEVNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-10-12-5-4-6-13(9-12)17-15(18)11-19-14-7-2-1-3-8-14/h1-9H,11H2,(H,17,18).
What are the key properties of N-(3-cyanophenyl)-2-phenylsulfanylacetamide?
N-(3-cyanophenyl)-2-phenylsulfanylacetamide has a molecular weight of 268.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 894960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).