N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide

C16H16BrNOS — CID 4631177

IUPACN-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-14-9-8-12(17)10-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeySFAIQSVGNXLMLB-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.12
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide

N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide (PubChem CID 4631177) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
PubChem CID4631177
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C16H16BrNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-14-9-8-12(17)10-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeySFAIQSVGNXLMLB-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide 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

N-(4-bromo-2-methylphenyl)-2-sulfanylbenzamide
CID 113220443
N-(4-bromo-2-methylphenyl)-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790084
5-bromo-N-(2-ethylsulfanylphenyl)-2-fluorobenzamide
CID 47267896
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466
2-[(2-ethylsulfanylbenzoyl)amino]benzamide
CID 4631713
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
2-ethylsulfanyl-N-(5-hydroxy-2-methyl-4-pyridinyl)benzamide
CID 126683060
N-(4-chloro-2-methylphenyl)-2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzamide
CID 92614894
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide (CID 4631177) is N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide?
The InChIKey is SFAIQSVGNXLMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-14-9-8-12(17)10-11(14)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide?
N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide has a molecular weight of 350.28 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 4631177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).