3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide

C15H14BrNOS — CID 81472688

IUPAC3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-7-8-11(9-12(10)16)15(18)17-13-5-3-4-6-14(13)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyKMLGSIYJLSPNIZ-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide

3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 81472688) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID81472688
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-7-8-11(9-12(10)16)15(18)17-13-5-3-4-6-14(13)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyKMLGSIYJLSPNIZ-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

3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
3-bromo-4-methyl-N-(2-sulfamoylphenyl)benzamide
CID 81459721
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
3-bromo-4-methyl-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935158
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 81472688) is 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is KMLGSIYJLSPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-10-7-8-11(9-12(10)16)15(18)17-13-5-3-4-6-14(13)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-bromo-4-methyl-N-(2-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 3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 81472688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).