3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione

C31H34F3N5O7S — CID 66816691

About 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione

3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 66816691) has the molecular formula C31H34F3N5O7S and a molecular weight of 677.70 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 66816691
• Molecular Formula: C31H34F3N5O7S
• Molecular Weight: 677.70 g/mol
• Exact Mass: 677.21
• IUPAC Name: 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1cc(N2C(=O)N(CCO)C(C)(C)C2=O)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O
• InChI: InChI=1S/C31H34F3N5O7S/c1-19-16-22(39-27(42)29(3,4)38(13-14-40)28(39)43)17-20(2)24(19)8-15-47(44,45)37-11-9-30(10-12-37)26(41)35-25(36-30)21-6-5-7-23(18-21)46-31(32,33)34/h5-8,15-18,40H,9-14H2,1-4H3,(H,35,36,41)/b15-8+
• InChIKey: LZJMYAATYSSAEQ-OVCLIPMQSA-N
• XLogP: 3.45
• TPSA: 148.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	677.70
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 66816691) is 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is Cc1cc(N2C(=O)N(CCO)C(C)(C)C2=O)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O.

What is the InChIKey of 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is LZJMYAATYSSAEQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C31H34F3N5O7S/c1-19-16-22(39-27(42)29(3,4)38(13-14-40)28(39)43)17-20(2)24(19)8-15-47(44,45)37-11-9-30(10-12-37)26(41)35-25(36-30)21-6-5-7-23(18-21)46-31(32,33)34/h5-8,15-18,40H,9-14H2,1-4H3,(H,35,36,41)/b15-8+.

What are the key properties of 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione?

3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 677.70 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-4-[(E)-2-[[4-oxo-2-[3-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]-1-(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 66816691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).