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

C15H15BrN2OS — CID 107872334

IUPAC3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H15BrN2OS/c1-9-11(7-10(16)8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFFROEPLETPVQKX-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.31
Rot. Bonds3

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

3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 107872334) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID107872334
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C15H15BrN2OS/c1-9-11(7-10(16)8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFFROEPLETPVQKX-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-bromo-2-methyl-N-(2-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

3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
CID 79215660
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
CID 107873022
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 107872047
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304
3-amino-5-fluoro-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117051
3-amino-5-bromo-N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 107872142
3-amino-5-bromo-N-(4-fluorophenyl)-2-methylbenzamide
CID 107872023
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
3-amino-5-bromo-N-(3,4-difluorophenyl)-2-methylbenzamide
CID 107872055
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 107872334) is 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is FFROEPLETPVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9-11(7-10(16)8-12(9)17)15(19)18-13-5-3-4-6-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 351.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 107872334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).