3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide

C30H34N4O4S2 — CID 25050812

About 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide

3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 25050812) has the molecular formula C30H34N4O4S2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide
• PubChem CID: 25050812
• Molecular Formula: C30H34N4O4S2
• Molecular Weight: 578.76 g/mol
• Exact Mass: 578.20
• IUPAC Name: 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide
• SMILES: CCc1cc2c(ccc(=O)n2Cc2ccc(-c3cc(C)sc3S(=O)(=O)NC3(C)C=C(C)NO3)c(C)c2)c(CC)n1
• InChI: InChI=1S/C30H34N4O4S2/c1-7-22-15-27-24(26(8-2)31-22)11-12-28(35)34(27)17-21-9-10-23(18(3)13-21)25-14-20(5)39-29(25)40(36,37)33-30(6)16-19(4)32-38-30/h9-16,32-33H,7-8,17H2,1-6H3
• InChIKey: QHWFGLINDSTDBF-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.76
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide?

The IUPAC name of 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide (CID 25050812) is 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide.

What is the SMILES notation for 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide?

The canonical SMILES for 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide is CCc1cc2c(ccc(=O)n2Cc2ccc(-c3cc(C)sc3S(=O)(=O)NC3(C)C=C(C)NO3)c(C)c2)c(CC)n1.

What is the InChIKey of 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide?

The InChIKey is QHWFGLINDSTDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4S2/c1-7-22-15-27-24(26(8-2)31-22)11-12-28(35)34(27)17-21-9-10-23(18(3)13-21)25-14-20(5)39-29(25)40(36,37)33-30(6)16-19(4)32-38-30/h9-16,32-33H,7-8,17H2,1-6H3.

What are the key properties of 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide?

3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 578.76 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 25050812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).