2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide

C14H11BrFNOS — CID 2194605

IUPAC2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyTUPOSZLYQQQWIG-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.32
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 2194605) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID2194605
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18)
InChIKeyTUPOSZLYQQQWIG-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)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-(2-acetylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 2561582
N-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 23097520
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-bromophenyl)sulfanylacetate
CID 7903221
N-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16520358
2-(4-bromophenyl)sulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 2352126
2-(4-bromophenyl)sulfanyl-N-(4-fluoro-2-methylphenyl)acetamide
CID 7924484
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
1-(2-fluorophenyl)-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]thiourea
CID 9468573
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-(4-chlorophenyl)sulfanyl-N-(3-fluoro-2-methylphenyl)acetamide
CID 126186398
2-(4-amino-3-fluorophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 79129889
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 2194605) is 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccccc1F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is TUPOSZLYQQQWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c15-10-5-7-11(8-6-10)19-9-14(18)17-13-4-2-1-3-12(13)16/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 4.32, 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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2194605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).