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

C20H26N2O4S — CID 50928598

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)10-11-21-18(23)13-22-16(4)12-15(3)19(20(22)24)27(25,26)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,23)
InChIKeyGPOIGXCBUNXZNV-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.46
Rot. Bonds7

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

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide (PubChem CID 50928598) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
PubChem CID50928598
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-14(2)10-11-21-18(23)13-22-16(4)12-15(3)19(20(22)24)27(25,26)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,23)
InChIKeyGPOIGXCBUNXZNV-UHFFFAOYSA-N
XLogP2.46
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide
CID 71660102
N-[3-(benzenesulfonyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72046963
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
CID 91903351
2-[6-Methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]-N-propylacetamide
CID 53161458
2-[4,6-dimethyl-3-(4-methylbenzenesulfonyl)-2-oxo-1,2-dihydropyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27509014
N-isobutyl-2-[6-methyl-3-{[(4-methylphenyl)sulfonyl]amino}-2-oxopyridin-1(2H)-yl]acetamide
CID 53161483
(2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 41506269
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(4-fluorobenzyl)acetamide
CID 50928616
2-[4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl]-N-(2-fluorobenzyl)acetamide
CID 51369905
N-[3-(benzenesulfonyl)propyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56143058
1-ethyl-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77096649
2-ethyl-N-{2-[(4-fluorophenyl)sulfonyl]ethyl}-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 157011437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide (CID 50928598) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide is Cc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The InChIKey is GPOIGXCBUNXZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14(2)10-11-21-18(23)13-22-16(4)12-15(3)19(20(22)24)27(25,26)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3,(H,21,23).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.46, 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 50928598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).