2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide

C15H13BrFNOS — CID 2561542

IUPAC2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H13BrFNOS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJIYDUBXSMLUQDZ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 2561542) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID2561542
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1F
InChIInChI=1S/C15H13BrFNOS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJIYDUBXSMLUQDZ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide (CID 2561542) is 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is JIYDUBXSMLUQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 354.24 g/mol, XLogP of 4.63, 4 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 2561542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).