N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide

C12H16N2O4S — CID 110612486

IUPACN-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
SMILESCS(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)8-7-14-12(16)5-4-11(15)10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyRZXOOLFMCHTGCO-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.21
Rot. Bonds7

About N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide

N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110612486) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110612486
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
SMILESCS(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C12H16N2O4S/c1-19(17,18)8-7-14-12(16)5-4-11(15)10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16)
InChIKeyRZXOOLFMCHTGCO-UHFFFAOYSA-N
XLogP0.21
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methyl(phenyl)sulfamoyl]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110626756
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110609610
N-[2-(4-methoxyphenoxy)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110415100
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
N-(2-morpholin-4-ylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110408170
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
N-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110416767
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110630066
tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate
CID 110627515
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110631539
1-pyridin-3-ylpentan-1-one
CID 12648543
N'-(4-oxo-4-phenylbutanoyl)pyridine-3-carbohydrazide
CID 35152458

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide (CID 110612486) is N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide is CS(=O)(=O)CCNC(=O)CCC(=O)c1cccnc1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is RZXOOLFMCHTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-19(17,18)8-7-14-12(16)5-4-11(15)10-3-2-6-13-9-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,16).
What are the key properties of N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide?
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 284.34 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110612486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).