2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

C15H16N2O2S — CID 2341292

IUPAC2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1cccc[n+]1[O-])NCCc1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-14(12-20-15-8-4-5-11-17(15)19)16-10-9-13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,16,18)
InChIKeyFRMXLNRODUYADG-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.77
Rot. Bonds6

About 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide

2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (PubChem CID 2341292) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
PubChem CID2341292
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
SMILESO=C(CSc1cccc[n+]1[O-])NCCc1ccccc1
InChIInChI=1S/C15H16N2O2S/c18-14(12-20-15-8-4-5-11-17(15)19)16-10-9-13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,16,18)
InChIKeyFRMXLNRODUYADG-UHFFFAOYSA-N
XLogP1.77
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(1-oxidopyridin-1-ium-2-yl)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

N-[(4-methylphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2478019
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
CID 155944067
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2341663
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
4-bromo-N'-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]benzohydrazide
CID 2437190
N-(2,3-dichlorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341250
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide (CID 2341292) is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is O=C(CSc1cccc[n+]1[O-])NCCc1ccccc1.
What is the InChIKey of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
The InChIKey is FRMXLNRODUYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(12-20-15-8-4-5-11-17(15)19)16-10-9-13-6-2-1-3-7-13/h1-8,11H,9-10,12H2,(H,16,18).
What are the key properties of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide?
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide has a molecular weight of 288.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2341292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).