N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

C15H16N2O3S — CID 2478959

IUPACN-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1cccc[n+]1[O-]
InChIInChI=1S/C15H16N2O3S/c1-11-6-7-13(20-2)12(9-11)16-14(18)10-21-15-5-3-4-8-17(15)19/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyVQNJEAXYYLATOA-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.37
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (PubChem CID 2478959) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
PubChem CID2478959
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1cccc[n+]1[O-]
InChIInChI=1S/C15H16N2O3S/c1-11-6-7-13(20-2)12(9-11)16-14(18)10-21-15-5-3-4-8-17(15)19/h3-9H,10H2,1-2H3,(H,16,18)
InChIKeyVQNJEAXYYLATOA-UHFFFAOYSA-N
XLogP2.37
TPSA65.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.37
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-methoxy-5-methylphenyl)-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-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341255
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 2646355
N-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 677656
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 2342380
N-(2-methoxy-5-methylphenyl)-2-((2-oxo-1-(pyridin-4-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032804
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-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 23093857
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-2-ylthio)acetamide
CID 3986424
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207453
2-[(2-Methoxy-5-nitrophenyl)methylsulfanyl]pyridine
CID 893103
N-(2-methoxy-5-methylphenyl)-N'-(4-pyridinylmethyl)ethanediamide
CID 2218197

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (CID 2478959) is N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1cccc[n+]1[O-].
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The InChIKey is VQNJEAXYYLATOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-6-7-13(20-2)12(9-11)16-14(18)10-21-15-5-3-4-8-17(15)19/h3-9H,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is sourced from PubChem (CID 2478959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).