4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one

C18H23NO3S — CID 1483856

IUPAC4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O
InChIInChI=1S/C18H23NO3S/c1-12(2)11-19-15(5)10-14(4)17(18(19)20)23(21,22)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3
InChIKeyGGMBSFQBBYRKSF-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.26
Rot. Bonds4

About 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one

4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 1483856) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID1483856
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one
SMILESCc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O
InChIInChI=1S/C18H23NO3S/c1-12(2)11-19-15(5)10-14(4)17(18(19)20)23(21,22)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3
InChIKeyGGMBSFQBBYRKSF-UHFFFAOYSA-N
XLogP3.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476554
3-[(4-fluoro-2-methylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1476562
4,6-Dimethyl-3-(2-methylphenyl)sulfonyl-1-propan-2-ylpyridin-2-one
CID 1483857
4,6-dimethyl-3-[(4-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483839
1,4,6-trimethyl-3-[(2-methylphenyl)sulfonyl]-2(1H)-pyridinone
CID 1483847
4,6-dimethyl-3-[(2-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 3713712
1-Butyl-4,6-dimethyl-3-(2-methylphenyl)sulfonyl-2-pyridinone
CID 3740446
3-[(2-isopropylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 4669628
3-[(2,5-dimethylphenyl)sulfonyl]-4,6-dimethyl-2(1H)-pyridinone
CID 1487318
4,6-dimethyl-3-(phenylsulfonyl)-1-(2-propynyl)-2(1H)-pyridinone
CID 3796451
4,6-dimethyl-3-[(3-methylphenyl)sulfonyl]-1-(2-methyl-2-propenyl)-2(1H)-pyridinone
CID 1483842
1-benzyl-4-methyl-6-phenyl-3-(phenylsulfonyl)-2(1H)-pyridinone
CID 3746369

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one (CID 1483856) is 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one is Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O.
What is the InChIKey of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is GGMBSFQBBYRKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12(2)11-19-15(5)10-14(4)17(18(19)20)23(21,22)16-9-7-6-8-13(16)3/h6-10,12H,11H2,1-5H3.
What are the key properties of 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one?
4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 333.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-(2-methylphenyl)sulfonyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 1483856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).