2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide

C25H22ClN3O4S — CID 50793106

About 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide

2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide (PubChem CID 50793106) has the molecular formula C25H22ClN3O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
• PubChem CID: 50793106
• Molecular Formula: C25H22ClN3O4S
• Molecular Weight: 495.99 g/mol
• Exact Mass: 495.10
• IUPAC Name: 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
• SMILES: CCc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c1
• InChI: InChI=1S/C25H22ClN3O4S/c1-3-17-5-4-6-19(13-17)28-23(30)15-29-14-22(24(31)21-12-7-16(2)27-25(21)29)34(32,33)20-10-8-18(26)9-11-20/h4-14H,3,15H2,1-2H3,(H,28,30)
• InChIKey: INDVHZJPCLNQPE-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 98.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.99
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide?

The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide (CID 50793106) is 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(C)nc32)c1.

What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide?

The InChIKey is INDVHZJPCLNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4S/c1-3-17-5-4-6-19(13-17)28-23(30)15-29-14-22(24(31)21-12-7-16(2)27-25(21)29)34(32,33)20-10-8-18(26)9-11-20/h4-14H,3,15H2,1-2H3,(H,28,30).

What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide?

2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide has a molecular weight of 495.99 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 50793106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).