5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione

C18H21F3N4O5S — CID 25162406

IUPAC5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O
InChIInChI=1S/C18H21F3N4O5S/c1-17(2)15(27)25(16(28)22-17)11-14(26)23-7-9-24(10-8-23)31(29,30)13-6-4-3-5-12(13)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,28)
InChIKeyREWLDLBBTJRJNP-UHFFFAOYSA-N
MW462.45 g/mol
LogP0.87
Rot. Bonds4

About 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 25162406) has the molecular formula C18H21F3N4O5S and a molecular weight of 462.45 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID25162406
Molecular FormulaC18H21F3N4O5S
Molecular Weight462.45 g/mol
Exact Mass462.12
IUPAC Name5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O
InChIInChI=1S/C18H21F3N4O5S/c1-17(2)15(27)25(16(28)22-17)11-14(26)23-7-9-24(10-8-23)31(29,30)13-6-4-3-5-12(13)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,28)
InChIKeyREWLDLBBTJRJNP-UHFFFAOYSA-N
XLogP0.87
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 25162406) is 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is REWLDLBBTJRJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O5S/c1-17(2)15(27)25(16(28)22-17)11-14(26)23-7-9-24(10-8-23)31(29,30)13-6-4-3-5-12(13)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,28).
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 462.45 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 25162406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).