N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide

C14H14N2O2S2 — CID 2819887

IUPACN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O2S2/c1-19-14-12(9-6-10-15-14)13(17)16-20(2,18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyHMAPMWDQKLWHMJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.10
Rot. Bonds3

About N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide

N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2819887) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2819887
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N=S(C)(=O)c1ccccc1
InChIInChI=1S/C14H14N2O2S2/c1-19-14-12(9-6-10-15-14)13(17)16-20(2,18)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKeyHMAPMWDQKLWHMJ-UHFFFAOYSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide (CID 2819887) is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N=S(C)(=O)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is HMAPMWDQKLWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-19-14-12(9-6-10-15-14)13(17)16-20(2,18)11-7-4-3-5-8-11/h3-10H,1-2H3.
What are the key properties of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide?
N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).