2-methyl-N-(2-methylsulfanylphenyl)benzamide

C15H15NOS — CID 926198

IUPAC2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C15H15NOS/c1-11-7-3-4-8-12(11)15(17)16-13-9-5-6-10-14(13)18-2/h3-10H,1-2H3,(H,16,17)
InChIKeyHKWBTEQOOYAVSM-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds3

About 2-methyl-N-(2-methylsulfanylphenyl)benzamide

2-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 926198) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID926198
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1C
InChIInChI=1S/C15H15NOS/c1-11-7-3-4-8-12(11)15(17)16-13-9-5-6-10-14(13)18-2/h3-10H,1-2H3,(H,16,17)
InChIKeyHKWBTEQOOYAVSM-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 926198) is 2-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccccc1C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is HKWBTEQOOYAVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-7-3-4-8-12(11)15(17)16-13-9-5-6-10-14(13)18-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(2-methylsulfanylphenyl)benzamide?
2-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 257.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 926198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).