5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C19H25FN4O5S — CID 24818131

IUPAC5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C19H25FN4O5S/c1-3-19(4-2)17(26)24(18(27)21-19)13-16(25)22-8-10-23(11-9-22)30(28,29)15-7-5-6-14(20)12-15/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,27)
InChIKeyXJEKEQCXDKESLR-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.77
Rot. Bonds6

About 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 24818131) has the molecular formula C19H25FN4O5S and a molecular weight of 440.50 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID24818131
Molecular FormulaC19H25FN4O5S
Molecular Weight440.50 g/mol
Exact Mass440.15
IUPAC Name5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C19H25FN4O5S/c1-3-19(4-2)17(26)24(18(27)21-19)13-16(25)22-8-10-23(11-9-22)30(28,29)15-7-5-6-14(20)12-15/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,27)
InChIKeyXJEKEQCXDKESLR-UHFFFAOYSA-N
XLogP0.77
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24819748
3-[2-[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4843577
1-[2-[4-[4-(Trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetyl]imidazolidin-2-one
CID 16287464
5-Cyclopropyl-3-[2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 16287521
3-[4-[4-(Benzenesulfonyl)piperazin-1-yl]-4-oxobutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 16304277
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 16550621
1-[(4-fluorophenyl)sulfonyl]-N-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]piperidine-4-carboxamide
CID 17585216
5,5-Dimethyl-3-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 25162406
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2082206
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 2107341
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 2122071
3-[2-[4-(Benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2529951

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 24818131) is 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is XJEKEQCXDKESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5S/c1-3-19(4-2)17(26)24(18(27)21-19)13-16(25)22-8-10-23(11-9-22)30(28,29)15-7-5-6-14(20)12-15/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,27).
What are the key properties of 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24818131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).