2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide

C15H14BrNOS — CID 80959344

IUPAC2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-6-7-14(16)13(8-10)15(18)17-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyMWIFHRXEBFFIBK-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.73
Rot. Bonds3

About 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide

2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 80959344) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID80959344
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(C)ccc2Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-6-7-14(16)13(8-10)15(18)17-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyMWIFHRXEBFFIBK-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
6-methyl-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794460
2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
CID 75431966
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide (CID 80959344) is 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cc(C)ccc2Br)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is MWIFHRXEBFFIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-10-6-7-14(16)13(8-10)15(18)17-11-4-3-5-12(9-11)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide?
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 336.25 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 80959344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).