N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide

C25H30N4O5S — CID 50831736

About N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide

N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (PubChem CID 50831736) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
• PubChem CID: 50831736
• Molecular Formula: C25H30N4O5S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.19
• IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
• SMILES: CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)c(=O)n(CCC(=O)N1CCCC1)c(=O)n2C
• InChI: InChI=1S/C25H30N4O5S/c1-4-18-9-7-8-17(2)23(18)26-35(33,34)19-10-11-21-20(16-19)24(31)29(25(32)27(21)3)15-12-22(30)28-13-5-6-14-28/h7-11,16,26H,4-6,12-15H2,1-3H3
• InChIKey: APADAUOZFSEUFG-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 110.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?

The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (CID 50831736) is N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.

What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?

The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)c(=O)n(CCC(=O)N1CCCC1)c(=O)n2C.

What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?

The InChIKey is APADAUOZFSEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-4-18-9-7-8-17(2)23(18)26-35(33,34)19-10-11-21-20(16-19)24(31)29(25(32)27(21)3)15-12-22(30)28-13-5-6-14-28/h7-11,16,26H,4-6,12-15H2,1-3H3.

What are the key properties of N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide?

N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethyl-6-methylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 50831736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).