N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C25H30N2O3S — CID 1373629

About N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 1373629) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
• PubChem CID: 1373629
• Molecular Formula: C25H30N2O3S
• Molecular Weight: 438.59 g/mol
• Exact Mass: 438.20
• IUPAC Name: N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
• SMILES: Cc1cc(C)c(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)c(C)c1
• InChI: InChI=1S/C25H30N2O3S/c1-16-12-18(3)24(19(4)13-16)31(29,30)27(22-10-5-6-11-22)15-21-14-20-9-7-8-17(2)23(20)26-25(21)28/h7-9,12-14,22H,5-6,10-11,15H2,1-4H3,(H,26,28)
• InChIKey: DXEUHUFEBMWHGE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 70.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.59
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?

The IUPAC name of N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 1373629) is N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

What is the SMILES notation for N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?

The canonical SMILES for N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)c(C)c1.

What is the InChIKey of N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?

The InChIKey is DXEUHUFEBMWHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-16-12-18(3)24(19(4)13-16)31(29,30)27(22-10-5-6-11-22)15-21-14-20-9-7-8-17(2)23(20)26-25(21)28/h7-9,12-14,22H,5-6,10-11,15H2,1-4H3,(H,26,28).

What are the key properties of N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?

N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 438.59 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2,4,6-trimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1373629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).