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

C23H24N2O4S — CID 30844918

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-4-18-9-8-10-19(14-18)24-21(26)15-25-17(3)13-16(2)22(23(25)27)30(28,29)20-11-6-5-7-12-20/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyDPPQMCGXBTVPDM-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.50
Rot. Bonds6

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

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide (PubChem CID 30844918) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide
PubChem CID30844918
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N2O4S/c1-4-18-9-8-10-19(14-18)24-21(26)15-25-17(3)13-16(2)22(23(25)27)30(28,29)20-11-6-5-7-12-20/h5-14H,4,15H2,1-3H3,(H,24,26)
InChIKeyDPPQMCGXBTVPDM-UHFFFAOYSA-N
XLogP3.50
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

AZ12260493
CID 11655079
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CID 716755
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
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CID 11619625
N-[4-[4-(3-phenylpropyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938291
N-[4-[4-(4-phenylbutyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 52938294
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-benzenesulfonamide
CID 648839
N-Ethyl-2-[(4-methylsulfanyl-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 653351
2-{(2-ethylphenyl)[(4-methylphenyl)sulfonyl]amino}-N-benzylacetamide
CID 1000070
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CID 1141975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide (CID 30844918) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccccc3)c2=O)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide?
The InChIKey is DPPQMCGXBTVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-4-18-9-8-10-19(14-18)24-21(26)15-25-17(3)13-16(2)22(23(25)27)30(28,29)20-11-6-5-7-12-20/h5-14H,4,15H2,1-3H3,(H,24,26).
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-ethylphenyl)acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.50, 6 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-ethylphenyl)acetamide is sourced from PubChem (CID 30844918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).