2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide

C22H22N2O5S — CID 42585629

IUPAC2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H22N2O5S/c1-15-13-16(2)24(14-20(25)23-17-7-5-4-6-8-17)22(26)21(15)30(27,28)19-11-9-18(29-3)10-12-19/h4-13H,14H2,1-3H3,(H,23,25)
InChIKeyXJJFJUUZUUQSBU-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.95
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide

2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide (PubChem CID 42585629) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
PubChem CID42585629
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H22N2O5S/c1-15-13-16(2)24(14-20(25)23-17-7-5-4-6-8-17)22(26)21(15)30(27,28)19-11-9-18(29-3)10-12-19/h4-13H,14H2,1-3H3,(H,23,25)
InChIKeyXJJFJUUZUUQSBU-UHFFFAOYSA-N
XLogP2.95
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53024289
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53024295
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 42585737
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 53054739
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 27509020
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53054673
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 53024340
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 50928646

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide (CID 42585629) is 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide is COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?
The InChIKey is XJJFJUUZUUQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15-13-16(2)24(14-20(25)23-17-7-5-4-6-8-17)22(26)21(15)30(27,28)19-11-9-18(29-3)10-12-19/h4-13H,14H2,1-3H3,(H,23,25).
What are the key properties of 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide?
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide has a molecular weight of 426.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide is sourced from PubChem (CID 42585629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).