2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide

C16H16BrNOS — CID 92513723

IUPAC2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1ccccc1Br)NCCc1ccccc1
InChIInChI=1S/C16H16BrNOS/c17-14-8-4-5-9-15(14)20-12-16(19)18-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyVBCFPSYPBPAJKI-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.90
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide

2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 92513723) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID92513723
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1ccccc1Br)NCCc1ccccc1
InChIInChI=1S/C16H16BrNOS/c17-14-8-4-5-9-15(14)20-12-16(19)18-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyVBCFPSYPBPAJKI-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)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

3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
2-(2-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 18098876
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-[2-[4-[amino(hydroxy)methyl]phenyl]ethyl]-2-phenylsulfanylacetamide
CID 90126046
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
2-(2-bromophenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 36988394
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 2341292

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide (CID 92513723) is 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1ccccc1Br)NCCc1ccccc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is VBCFPSYPBPAJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c17-14-8-4-5-9-15(14)20-12-16(19)18-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 350.28 g/mol, XLogP of 3.90, 6 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-phenylethyl)acetamide is sourced from PubChem (CID 92513723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).