2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide

C19H24N2O4S — CID 50928593

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H24N2O4S/c1-4-5-11-20-17(22)13-21-15(3)12-14(2)18(19(21)23)26(24,25)16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22)
InChIKeyGFMLNSTXTCJHHR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds7

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide (PubChem CID 50928593) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide
PubChem CID50928593
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C19H24N2O4S/c1-4-5-11-20-17(22)13-21-15(3)12-14(2)18(19(21)23)26(24,25)16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22)
InChIKeyGFMLNSTXTCJHHR-UHFFFAOYSA-N
XLogP2.21
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide (CID 50928593) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide is CCCCNC(=O)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2)c1=O.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide?
The InChIKey is GFMLNSTXTCJHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-5-11-20-17(22)13-21-15(3)12-14(2)18(19(21)23)26(24,25)16-9-7-6-8-10-16/h6-10,12H,4-5,11,13H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-butylacetamide is sourced from PubChem (CID 50928593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).