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

C25H28N2O5S — CID 53024277

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

2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53024277) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 53024277
• Molecular Formula: C25H28N2O5S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.17
• IUPAC Name: 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1
• InChI: InChI=1S/C25H28N2O5S/c1-16(2)19-6-8-20(9-7-19)26-23(28)15-27-18(4)14-17(3)24(25(27)29)33(30,31)22-12-10-21(32-5)11-13-22/h6-14,16H,15H2,1-5H3,(H,26,28)
• InChIKey: RGCPQHNAMWBLCO-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 94.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide (CID 53024277) is 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1.

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

The InChIKey is RGCPQHNAMWBLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-16(2)19-6-8-20(9-7-19)26-23(28)15-27-18(4)14-17(3)24(25(27)29)33(30,31)22-12-10-21(32-5)11-13-22/h6-14,16H,15H2,1-5H3,(H,26,28).

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

2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 468.58 g/mol, XLogP of 4.07, 7 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53024277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).