N-(2-cyanophenyl)-2-phenylsulfanylacetamide

C15H12N2OS — CID 2342912

IUPACN-(2-cyanophenyl)-2-phenylsulfanylacetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H12N2OS/c16-10-12-6-4-5-9-14(12)17-15(18)11-19-13-7-2-1-3-8-13/h1-9H,11H2,(H,17,18)
InChIKeyASNRQPTUDMGQJE-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.29
Rot. Bonds4

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

N-(2-cyanophenyl)-2-phenylsulfanylacetamide (PubChem CID 2342912) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-phenylsulfanylacetamide
PubChem CID2342912
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(2-cyanophenyl)-2-phenylsulfanylacetamide
SMILESN#Cc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H12N2OS/c16-10-12-6-4-5-9-14(12)17-15(18)11-19-13-7-2-1-3-8-13/h1-9H,11H2,(H,17,18)
InChIKeyASNRQPTUDMGQJE-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-cyanophenyl)-2-phenylsulfanylacetamide (CID 2342912) is N-(2-cyanophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-phenylsulfanylacetamide is N#Cc1ccccc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-2-phenylsulfanylacetamide?
The InChIKey is ASNRQPTUDMGQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-10-12-6-4-5-9-14(12)17-15(18)11-19-13-7-2-1-3-8-13/h1-9H,11H2,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-phenylsulfanylacetamide?
N-(2-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-(2-cyanophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2342912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).