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

C23H23FN2O4S — CID 53054673

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

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 53054673) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
• PubChem CID: 53054673
• Molecular Formula: C23H23FN2O4S
• Molecular Weight: 442.51 g/mol
• Exact Mass: 442.14
• IUPAC Name: 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1
• InChI: InChI=1S/C23H23FN2O4S/c1-14-5-9-19(10-6-14)31(29,30)22-16(3)11-17(4)26(23(22)28)13-21(27)25-18-8-7-15(2)20(24)12-18/h5-12H,13H2,1-4H3,(H,25,27)
• InChIKey: LUTGVPHPVBTROV-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 85.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.51
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The IUPAC name of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 53054673) is 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide.

What is the SMILES notation for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The canonical SMILES for 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C)c(F)c3)c2=O)cc1.

What is the InChIKey of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?

The InChIKey is LUTGVPHPVBTROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-14-5-9-19(10-6-14)31(29,30)22-16(3)11-17(4)26(23(22)28)13-21(27)25-18-8-7-15(2)20(24)12-18/h5-12H,13H2,1-4H3,(H,25,27).

What are the key properties of 2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide?

2-[4,6-dimethyl-3-(4-methylphenyl)sulfonyl-2-oxo-1-pyridinyl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 442.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 53054673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).