4-cyano-N-(3-methylsulfanylphenyl)benzamide

C15H12N2OS — CID 2665655

IUPAC4-cyano-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H12N2OS/c1-19-14-4-2-3-13(9-14)17-15(18)12-7-5-11(10-16)6-8-12/h2-9H,1H3,(H,17,18)
InChIKeyVVWGQJSXPLHPIQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.53
Rot. Bonds3

About 4-cyano-N-(3-methylsulfanylphenyl)benzamide

4-cyano-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 2665655) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-cyano-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3-methylsulfanylphenyl)benzamide
PubChem CID2665655
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-cyano-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H12N2OS/c1-19-14-4-2-3-13(9-14)17-15(18)12-7-5-11(10-16)6-8-12/h2-9H,1H3,(H,17,18)
InChIKeyVVWGQJSXPLHPIQ-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

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(4-cyanophenyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 108519404
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
3-hydroxy-4-iodo-N-(3-methylsulfanylphenyl)benzamide
CID 104627461
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 8761868
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-cyano-N-(3-methylsulfanylphenyl)benzamide (CID 2665655) is 4-cyano-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is VVWGQJSXPLHPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-19-14-4-2-3-13(9-14)17-15(18)12-7-5-11(10-16)6-8-12/h2-9H,1H3,(H,17,18).
What are the key properties of 4-cyano-N-(3-methylsulfanylphenyl)benzamide?
4-cyano-N-(3-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 4-cyano-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2665655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).