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

C16H14N2OS — CID 1471753

IUPACN-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H14N2OS/c1-11-5-3-4-6-13(11)16(19)18-14-9-12(10-17)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyDNISEWKNJMJDAL-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

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

N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide (PubChem CID 1471753) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide
PubChem CID1471753
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H14N2OS/c1-11-5-3-4-6-13(11)16(19)18-14-9-12(10-17)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19)
InChIKeyDNISEWKNJMJDAL-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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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide?
The IUPAC name of N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide (CID 1471753) is N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide is CSc1ccc(C#N)cc1NC(=O)c1ccccc1C.
What is the InChIKey of N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide?
The InChIKey is DNISEWKNJMJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-5-3-4-6-13(11)16(19)18-14-9-12(10-17)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide?
N-(5-cyano-2-methylsulfanylphenyl)-2-methylbenzamide 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-methylsulfanylphenyl)-2-methylbenzamide is sourced from PubChem (CID 1471753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).