N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide

C15H14BrNOS — CID 112725117

IUPACN-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-7-8-11(9-13(10)16)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyBTPUBRGOZUEEFN-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.73
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide

N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide (PubChem CID 112725117) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
PubChem CID112725117
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C15H14BrNOS/c1-10-7-8-11(9-13(10)16)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18)
InChIKeyBTPUBRGOZUEEFN-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-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
CID 107096907
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide (CID 112725117) is N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is BTPUBRGOZUEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-10-7-8-11(9-13(10)16)17-15(18)12-5-3-4-6-14(12)19-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide?
N-(3-bromo-4-methylphenyl)-2-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-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 112725117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).