2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide

C17H17BrN2O2S — CID 34143404

IUPAC2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O2S/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJXYNOVXIGXVENK-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.85
Rot. Bonds5

About 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide

2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide (PubChem CID 34143404) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
PubChem CID34143404
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC Name2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O2S/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJXYNOVXIGXVENK-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide 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

2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
N-methyl-2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34753814
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
3-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785441
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide (CID 34143404) is 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CSc1ccc(Br)cc1C.
What is the InChIKey of 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide?
The InChIKey is JXYNOVXIGXVENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide?
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide has a molecular weight of 393.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 34143404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).