N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C26H32N2O4S — CID 1373626

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

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 1373626) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
• PubChem CID: 1373626
• Molecular Formula: C26H32N2O4S
• Molecular Weight: 468.62 g/mol
• Exact Mass: 468.21
• IUPAC Name: N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
• SMILES: CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1
• InChI: InChI=1S/C26H32N2O4S/c1-5-20-8-9-24-21(13-20)14-22(26(29)27-24)15-28(16-23-7-6-10-32-23)33(30,31)25-18(3)11-17(2)12-19(25)4/h8-9,11-14,23H,5-7,10,15-16H2,1-4H3,(H,27,29)/t23-/m1/s1
• InChIKey: GCTPVUHXEJHAQJ-HSZRJFAPSA-N
• XLogP: 4.39
• TPSA: 79.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.62
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 1373626) is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

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

The canonical SMILES for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1.

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

The InChIKey is GCTPVUHXEJHAQJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-5-20-8-9-24-21(13-20)14-22(26(29)27-24)15-28(16-23-7-6-10-32-23)33(30,31)25-18(3)11-17(2)12-19(25)4/h8-9,11-14,23H,5-7,10,15-16H2,1-4H3,(H,27,29)/t23-/m1/s1.

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

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 468.62 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).