N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C14H14N2O3S — CID 56786078

IUPACN-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCS(=O)c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyGTKHCUYGIJGTQP-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.91
Rot. Bonds5

About N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56786078) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56786078
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCS(=O)c1ccccc1)c1ccc[nH]c1=O
InChIInChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKeyGTKHCUYGIJGTQP-UHFFFAOYSA-N
XLogP0.91
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56786078) is N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCS(=O)c1ccccc1)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GTKHCUYGIJGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13-12(7-4-8-15-13)14(18)16-9-10-20(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfinyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56786078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).