N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

C14H14N2O2S2 — CID 2341257

IUPACN-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1cccc[n+]1[O-]
InChIInChI=1S/C14H14N2O2S2/c1-19-12-7-3-2-6-11(12)15-13(17)10-20-14-8-4-5-9-16(14)18/h2-9H,10H2,1H3,(H,15,17)
InChIKeyAUVKVSVUQCVONU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.77
Rot. Bonds5

About N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (PubChem CID 2341257) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
PubChem CID2341257
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCSc1ccccc1NC(=O)CSc1cccc[n+]1[O-]
InChIInChI=1S/C14H14N2O2S2/c1-19-12-7-3-2-6-11(12)15-13(17)10-20-14-8-4-5-9-16(14)18/h2-9H,10H2,1H3,(H,15,17)
InChIKeyAUVKVSVUQCVONU-UHFFFAOYSA-N
XLogP2.77
TPSA56.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide 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-fluoro-3-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 2059919
ST4014630
CID 684061
N-cyclopentyl-2-pyridin-2-ylsulfanylacetamide
CID 2303967
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 2341319
N-cyclohexyl-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341621
N-cyclooctyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2342281
N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
CID 2342406
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2342408
1-(Azepan-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2342507
N-cyclohexyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2413718
N-cyclopentyl-2-pyridin-2-ylsulfanylpropanamide
CID 16312597
2-(pyridin-2-ylsulfanyl)-N-(4-sulfamoylphenyl)acetamide
CID 647669

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (CID 2341257) is N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is CSc1ccccc1NC(=O)CSc1cccc[n+]1[O-].
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The InChIKey is AUVKVSVUQCVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-19-12-7-3-2-6-11(12)15-13(17)10-20-14-8-4-5-9-16(14)18/h2-9H,10H2,1H3,(H,15,17).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is sourced from PubChem (CID 2341257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).