2-oxo-N-(2-sulfanylphenyl)acetamide

C8H7NO2S — CID 173253850

IUPAC2-oxo-N-(2-sulfanylphenyl)acetamide
SMILESO=CC(=O)Nc1ccccc1S
InChIInChI=1S/C8H7NO2S/c10-5-8(11)9-6-3-1-2-4-7(6)12/h1-5,12H,(H,9,11)
InChIKeyIGYUPFWOOPVFPV-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.11
Rot. Bonds2

About 2-oxo-N-(2-sulfanylphenyl)acetamide

2-oxo-N-(2-sulfanylphenyl)acetamide (PubChem CID 173253850) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-oxo-N-(2-sulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(2-sulfanylphenyl)acetamide
PubChem CID173253850
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2-oxo-N-(2-sulfanylphenyl)acetamide
SMILESO=CC(=O)Nc1ccccc1S
InChIInChI=1S/C8H7NO2S/c10-5-8(11)9-6-3-1-2-4-7(6)12/h1-5,12H,(H,9,11)
InChIKeyIGYUPFWOOPVFPV-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-sulfanylphenyl)acetamide
CID 4737190
1-butan-2-yl-3-(2-sulfanylphenyl)urea
CID 108886298
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
CID 108886544
1,1-dibenzyl-3-(2-sulfanylphenyl)urea
CID 108886407
1-(4-propan-2-ylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886268
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
2-oxo-N-[2-phenyl-4-(trifluoromethyl)phenyl]acetamide
CID 134547020
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-(2,2-dimethoxyethyl)-3-(2-sulfanylphenyl)urea
CID 108886467
1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886378

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-sulfanylphenyl)acetamide?
The IUPAC name of 2-oxo-N-(2-sulfanylphenyl)acetamide (CID 173253850) is 2-oxo-N-(2-sulfanylphenyl)acetamide.
What is the SMILES notation for 2-oxo-N-(2-sulfanylphenyl)acetamide?
The canonical SMILES for 2-oxo-N-(2-sulfanylphenyl)acetamide is O=CC(=O)Nc1ccccc1S.
What is the InChIKey of 2-oxo-N-(2-sulfanylphenyl)acetamide?
The InChIKey is IGYUPFWOOPVFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-5-8(11)9-6-3-1-2-4-7(6)12/h1-5,12H,(H,9,11).
What are the key properties of 2-oxo-N-(2-sulfanylphenyl)acetamide?
2-oxo-N-(2-sulfanylphenyl)acetamide has a molecular weight of 181.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-sulfanylphenyl)acetamide is sourced from PubChem (CID 173253850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).