2-methyl-N-(3-methylsulfanylphenyl)benzamide

C15H15NOS — CID 836481

IUPAC2-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C15H15NOS/c1-11-6-3-4-9-14(11)15(17)16-12-7-5-8-13(10-12)18-2/h3-10H,1-2H3,(H,16,17)
InChIKeyJHFSNIKNPWCGSM-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.97
Rot. Bonds3

About 2-methyl-N-(3-methylsulfanylphenyl)benzamide

2-methyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 836481) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID836481
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name2-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C15H15NOS/c1-11-6-3-4-9-14(11)15(17)16-12-7-5-8-13(10-12)18-2/h3-10H,1-2H3,(H,16,17)
InChIKeyJHFSNIKNPWCGSM-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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Related Compounds

2-methyl-N-[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]benzamide
CID 19300010
2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
CID 75431966
1-(2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 56610085
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
N-[3-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906483
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)benzamide (CID 836481) is 2-methyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccccc2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is JHFSNIKNPWCGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-11-6-3-4-9-14(11)15(17)16-12-7-5-8-13(10-12)18-2/h3-10H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-(3-methylsulfanylphenyl)benzamide?
2-methyl-N-(3-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-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 836481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).