N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide

C16H17BrN2OS — CID 35824178

IUPACN-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2OS/c1-11-9-12(7-8-13(11)17)19-16(20)10-18-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyRBMPHDQWKCMVGR-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.53
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide (PubChem CID 35824178) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
PubChem CID35824178
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide
SMILESCSc1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H17BrN2OS/c1-11-9-12(7-8-13(11)17)19-16(20)10-18-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyRBMPHDQWKCMVGR-UHFFFAOYSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
ethyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 109010868
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-methylanilino)acetamide
CID 16553113
2-(4-bromo-3-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9099453
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(4-acetylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 9079994
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099923
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide (CID 35824178) is N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide is CSc1ccccc1NCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide?
The InChIKey is RBMPHDQWKCMVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-11-9-12(7-8-13(11)17)19-16(20)10-18-14-5-3-4-6-15(14)21-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide has a molecular weight of 365.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-methylsulfanylanilino)acetamide is sourced from PubChem (CID 35824178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).