1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C34H33F5N2O6S — CID 58171761

About 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58171761) has the molecular formula C34H33F5N2O6S and a molecular weight of 692.70 g/mol. Its IUPAC name is 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 58171761
• Molecular Formula: C34H33F5N2O6S
• Molecular Weight: 692.70 g/mol
• Exact Mass: 692.20
• IUPAC Name: 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1CC(=O)Cc1ccc(C(=O)CS(=O)(=O)C(C)(C)C)cc1
• InChI: InChI=1S/C34H33F5N2O6S/c1-32(2,3)48(46,47)19-29(43)21-8-6-20(7-9-21)14-26(42)16-23-15-24(35)11-10-22(23)18-40-31(45)41(30(44)33(40,4)5)25-12-13-28(36)27(17-25)34(37,38)39/h6-13,15,17H,14,16,18-19H2,1-5H3
• InChIKey: AVWORMGQALSBJO-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 108.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.70
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58171761) is 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1CC(=O)Cc1ccc(C(=O)CS(=O)(=O)C(C)(C)C)cc1.

What is the InChIKey of 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is AVWORMGQALSBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F5N2O6S/c1-32(2,3)48(46,47)19-29(43)21-8-6-20(7-9-21)14-26(42)16-23-15-24(35)11-10-22(23)18-40-31(45)41(30(44)33(40,4)5)25-12-13-28(36)27(17-25)34(37,38)39/h6-13,15,17H,14,16,18-19H2,1-5H3.

What are the key properties of 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 692.70 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[3-[4-(2-tert-butylsulfonylacetyl)phenyl]-2-oxopropyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58171761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).