2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide

C17H18BrNOS — CID 1278156

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNOS/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyKFRPHAKIBGWXGP-UHFFFAOYSA-N
MW364.31 g/mol
LogP5.30
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1278156) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1278156
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNOS/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyKFRPHAKIBGWXGP-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide 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-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
(Z)-2-methyl-4-oxo-4-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylanilino]but-2-enoic acid
CID 19059416
4-fluoro-N-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]benzamide
CID 22777816
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981
N-(4-bromophenyl)-2-[6-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 46383917
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 52736699
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(4-bromophenyl)-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]propanamide
CID 55951705
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide (CID 1278156) is 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KFRPHAKIBGWXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-12(2)13-3-7-15(8-4-13)19-17(20)11-21-16-9-5-14(18)6-10-16/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 364.31 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1278156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).