N-(5-cyano-2-methylsulfanylphenyl)benzamide

C15H12N2OS — CID 1471767

IUPACN-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C15H12N2OS/c1-19-14-8-7-11(10-16)9-13(14)17-15(18)12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18)
InChIKeyAVPDGEICJHEPCP-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.53
Rot. Bonds3

About N-(5-cyano-2-methylsulfanylphenyl)benzamide

N-(5-cyano-2-methylsulfanylphenyl)benzamide (PubChem CID 1471767) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(5-cyano-2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylsulfanylphenyl)benzamide
PubChem CID1471767
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccccc1
InChIInChI=1S/C15H12N2OS/c1-19-14-8-7-11(10-16)9-13(14)17-15(18)12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18)
InChIKeyAVPDGEICJHEPCP-UHFFFAOYSA-N
XLogP3.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dibenzothiazepinone
CID 374829
Stk238931
CID 926198
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
N-[2-(methylthio)phenyl]-3-phenylpropanamide
CID 971362
3-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
CID 24818355
N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 881352
(2r)-2-Methyl-3-Oxo-4h-1,4-Benzothiazine-6-Carbohydroxamic Acid
CID 25374595
4-fluoro-N-(2-phenylsulfanylphenyl)benzamide
CID 847806
4-methyl-N-[2-(phenylthio)phenyl]benzamide
CID 970684
N-tert-butyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
CID 977219
2,4-dichloro-N-[5-cyano-2-(methylsulfanyl)phenyl]benzenecarboxamide
CID 1471745
N-[5-cyano-2-(methylsulfanyl)phenyl]-2-methylbenzenecarboxamide
CID 1471753

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The IUPAC name of N-(5-cyano-2-methylsulfanylphenyl)benzamide (CID 1471767) is N-(5-cyano-2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The canonical SMILES for N-(5-cyano-2-methylsulfanylphenyl)benzamide is CSc1ccc(C#N)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The InChIKey is AVPDGEICJHEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-19-14-8-7-11(10-16)9-13(14)17-15(18)12-5-3-2-4-6-12/h2-9H,1H3,(H,17,18).
What are the key properties of N-(5-cyano-2-methylsulfanylphenyl)benzamide?
N-(5-cyano-2-methylsulfanylphenyl)benzamide has a molecular weight of 268.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).