N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide

C23H25N3O5S2 — CID 42167370

About N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide

N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (PubChem CID 42167370) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
• PubChem CID: 42167370
• Molecular Formula: C23H25N3O5S2
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.12
• IUPAC Name: N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide
• SMILES: COc1cccc(C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)c3cccs3)C2)c1OC
• InChI: InChI=1S/C23H25N3O5S2/c1-15-19(13-25-33(28,29)21-8-5-11-32-21)17-9-10-26(14-16(17)12-24-15)23(27)18-6-4-7-20(30-2)22(18)31-3/h4-8,11-12,25H,9-10,13-14H2,1-3H3
• InChIKey: KGAVPWQRWPKHQU-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The IUPAC name of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide (CID 42167370) is N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is COc1cccc(C(=O)N2CCc3c(cnc(C)c3CNS(=O)(=O)c3cccs3)C2)c1OC.

What is the InChIKey of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

The InChIKey is KGAVPWQRWPKHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-15-19(13-25-33(28,29)21-8-5-11-32-21)17-9-10-26(14-16(17)12-24-15)23(27)18-6-4-7-20(30-2)22(18)31-3/h4-8,11-12,25H,9-10,13-14H2,1-3H3.

What are the key properties of N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide?

N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 487.60 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(2,3-dimethoxybenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42167370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).