N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide

C15H14BrNOS — CID 82707112

IUPACN-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C)ccc2Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3,(H,17,18)
InChIKeyHJSIJBQUZJCHDN-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.73
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide

N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide (PubChem CID 82707112) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
PubChem CID82707112
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cc(C)ccc2Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3,(H,17,18)
InChIKeyHJSIJBQUZJCHDN-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

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Related Compounds

N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 82707211
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-[2-methyl-4-[3-methyl-4-[(4-methylsulfanylbenzoyl)amino]phenyl]phenyl]-4-methylsulfanylbenzamide
CID 43980967
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2-bromo-5-methylphenyl)-2,6-dimethylbenzamide
CID 113341710

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide (CID 82707112) is N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cc(C)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide?
The InChIKey is HJSIJBQUZJCHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-10-3-8-13(16)14(9-10)17-15(18)11-4-6-12(19-2)7-5-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide?
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide 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 N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 82707112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).