N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide

C16H14N2OS — CID 78981326

IUPACN-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H14N2OS/c1-11-7-8-12(10-17)9-14(11)18-16(19)13-5-3-4-6-15(13)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyRQWCJBRQJYRHOV-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

About N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide

N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide (PubChem CID 78981326) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
PubChem CID78981326
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H14N2OS/c1-11-7-8-12(10-17)9-14(11)18-16(19)13-5-3-4-6-15(13)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyRQWCJBRQJYRHOV-UHFFFAOYSA-N
XLogP3.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide (CID 78981326) is N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(C#N)ccc1C.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is RQWCJBRQJYRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-7-8-12(10-17)9-14(11)18-16(19)13-5-3-4-6-15(13)20-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide?
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 3.84, 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-methylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 78981326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).