2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide

C23H24N2O4S2 — CID 27509020

IUPAC2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C23H24N2O4S2/c1-15-8-10-20(11-9-15)31(28,29)22-16(2)12-17(3)25(23(22)27)14-21(26)24-18-6-5-7-19(13-18)30-4/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyNIJBGHBQICKXFX-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.97
Rot. Bonds6

About 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 27509020) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID27509020
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)c1
InChIInChI=1S/C23H24N2O4S2/c1-15-8-10-20(11-9-15)31(28,29)22-16(2)12-17(3)25(23(22)27)14-21(26)24-18-6-5-7-19(13-18)30-4/h5-13H,14H2,1-4H3,(H,24,26)
InChIKeyNIJBGHBQICKXFX-UHFFFAOYSA-N
XLogP3.97
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53054673
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-phenylacetamide
CID 42585629
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 42585737
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-(2-methoxy-5-methylphenyl)acetamide
CID 50928632
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
CID 53024277
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide
CID 53091216
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
2-[3-(5-chlorothiophen-2-yl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 53054739
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide (CID 27509020) is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2c(C)cc(C)c(S(=O)(=O)c3ccc(C)cc3)c2=O)c1.
What is the InChIKey of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is NIJBGHBQICKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-15-8-10-20(11-9-15)31(28,29)22-16(2)12-17(3)25(23(22)27)14-21(26)24-18-6-5-7-19(13-18)30-4/h5-13H,14H2,1-4H3,(H,24,26).
What are the key properties of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide?
2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 27509020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).