2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C15H13BrFNOS — CID 18098876

IUPAC2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1ccccc1Br)NCc1ccccc1F
InChIInChI=1S/C15H13BrFNOS/c16-12-6-2-4-8-14(12)20-10-15(19)18-9-11-5-1-3-7-13(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyMGMYNXOWENCUTM-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 18098876) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID18098876
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CSc1ccccc1Br)NCc1ccccc1F
InChIInChI=1S/C15H13BrFNOS/c16-12-6-2-4-8-14(12)20-10-15(19)18-9-11-5-1-3-7-13(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyMGMYNXOWENCUTM-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]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

2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-(2-amino-4-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 43302482
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
N-[(2-fluorophenyl)methyl]-2-[(2S)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94815587
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809861
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
2-(2-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanone
CID 66144047
(2R)-2-amino-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142220
2-(2-aminopropylsulfanyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 66219214
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 18098876) is 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is O=C(CSc1ccccc1Br)NCc1ccccc1F.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is MGMYNXOWENCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-6-2-4-8-14(12)20-10-15(19)18-9-11-5-1-3-7-13(11)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 354.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18098876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).