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

C19H16N2O3S — CID 2342380

IUPAC2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1cccc[n+]1[O-])Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22)
InChIKeyADTUHYKLZVMHOT-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.84
Rot. Bonds6

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

2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 2342380) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
PubChem CID2342380
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1cccc[n+]1[O-])Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22)
InChIKeyADTUHYKLZVMHOT-UHFFFAOYSA-N
XLogP3.84
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.84
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 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)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-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamide
CID 659569
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-[(2-ethoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2275984
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(3-phenoxyphenyl)acetamide
CID 2341783
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3466269
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 4438847
N-(5-chloro-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2120529
N-(3-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2340488
N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2478959
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 3986424
2-[(2-methoxyphenyl)(phenylsulfonyl)amino]-N-(2-(2-pyridylthio)ethyl)acetamide
CID 2894319
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2999880

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide (CID 2342380) is 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide is O=C(CSc1cccc[n+]1[O-])Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is ADTUHYKLZVMHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22).
What are the key properties of 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 352.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2342380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).