N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

C24H36N6O4S — CID 135769894

About N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (PubChem CID 135769894) has the molecular formula C24H36N6O4S and a molecular weight of 504.66 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
• PubChem CID: 135769894
• Molecular Formula: C24H36N6O4S
• Molecular Weight: 504.66 g/mol
• Exact Mass: 504.25
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
• SMILES: CCOc1ccc(S(=O)(=O)N(C)CCN(C)C)cc1-c1nn2c(C(CC)CC)nc(C)c2c(=O)[nH]1
• InChI: InChI=1S/C24H36N6O4S/c1-8-17(9-2)23-25-16(4)21-24(31)26-22(27-30(21)23)19-15-18(11-12-20(19)34-10-3)35(32,33)29(7)14-13-28(5)6/h11-12,15,17H,8-10,13-14H2,1-7H3,(H,26,27,31)
• InChIKey: HQURQJBZVXCPQF-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 112.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.66
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (CID 135769894) is N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCN(C)C)cc1-c1nn2c(C(CC)CC)nc(C)c2c(=O)[nH]1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?

The InChIKey is HQURQJBZVXCPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O4S/c1-8-17(9-2)23-25-16(4)21-24(31)26-22(27-30(21)23)19-15-18(11-12-20(19)34-10-3)35(32,33)29(7)14-13-28(5)6/h11-12,15,17H,8-10,13-14H2,1-7H3,(H,26,27,31).

What are the key properties of N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?

N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide has a molecular weight of 504.66 g/mol, XLogP of 2.88, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135769894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).