2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

C32H41FN4O5S — CID 170353636

About 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 170353636) has the molecular formula C32H41FN4O5S and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
• PubChem CID: 170353636
• Molecular Formula: C32H41FN4O5S
• Molecular Weight: 612.77 g/mol
• Exact Mass: 612.28
• IUPAC Name: 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
• SMILES: CCCCC1=NC(CC)(CCF)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
• InChI: InChI=1S/C32H41FN4O5S/c1-6-9-14-29-34-32(7-2,17-18-33)31(38)37(29)20-24-15-16-26(25(19-24)21-41-8-3)27-12-10-11-13-28(27)43(39,40)36-30-22(4)23(5)42-35-30/h10-13,15-16,19H,6-9,14,17-18,20-21H2,1-5H3,(H,35,36)
• InChIKey: ROBMCRRBRNHYQA-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 114.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.77
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The IUPAC name of 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 170353636) is 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

What is the SMILES notation for 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The canonical SMILES for 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is CCCCC1=NC(CC)(CCF)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1.

What is the InChIKey of 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

The InChIKey is ROBMCRRBRNHYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN4O5S/c1-6-9-14-29-34-32(7-2,17-18-33)31(38)37(29)20-24-15-16-26(25(19-24)21-41-8-3)27-12-10-11-13-28(27)43(39,40)36-30-22(4)23(5)42-35-30/h10-13,15-16,19H,6-9,14,17-18,20-21H2,1-5H3,(H,35,36).

What are the key properties of 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?

2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 612.77 g/mol, XLogP of 6.74, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-butyl-4-ethyl-4-(2-fluoroethyl)-5-oxoimidazol-1-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 170353636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).