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

C20H28N4O5S — CID 50831994

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

N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (PubChem CID 50831994) has the molecular formula C20H28N4O5S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
• PubChem CID: 50831994
• Molecular Formula: C20H28N4O5S
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.18
• IUPAC Name: N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
• SMILES: CCC(C)NS(=O)(=O)c1ccc2c(c1)c(=O)n(CCC(=O)N1CCCC1)c(=O)n2C
• InChI: InChI=1S/C20H28N4O5S/c1-4-14(2)21-30(28,29)15-7-8-17-16(13-15)19(26)24(20(27)22(17)3)12-9-18(25)23-10-5-6-11-23/h7-8,13-14,21H,4-6,9-12H2,1-3H3
• InChIKey: CIIORPVCCQNJSA-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 110.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide (CID 50831994) is N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide.

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

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

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

The InChIKey is CIIORPVCCQNJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S/c1-4-14(2)21-30(28,29)15-7-8-17-16(13-15)19(26)24(20(27)22(17)3)12-9-18(25)23-10-5-6-11-23/h7-8,13-14,21H,4-6,9-12H2,1-3H3.

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

N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide has a molecular weight of 436.53 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 50831994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).