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

C23H25FN4O5S — CID 24687793

IUPAC3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25FN4O5S/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)26-10-12-27(13-11-26)34(32,33)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)
InChIKeyUJYLYDJTRWLOFW-UHFFFAOYSA-N
MW488.54 g/mol
LogP1.43
Rot. Bonds5

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

3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 24687793) has the molecular formula C23H25FN4O5S and a molecular weight of 488.54 g/mol. Its IUPAC name is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID24687793
Molecular FormulaC23H25FN4O5S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2=O)cc1
InChIInChI=1S/C23H25FN4O5S/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)26-10-12-27(13-11-26)34(32,33)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31)
InChIKeyUJYLYDJTRWLOFW-UHFFFAOYSA-N
XLogP1.43
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 51.43
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 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 24687793) is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)C2=O)cc1.
What is the InChIKey of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is UJYLYDJTRWLOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5S/c1-16-6-8-17(9-7-16)23(2)21(30)28(22(31)25-23)15-20(29)26-10-12-27(13-11-26)34(32,33)19-5-3-4-18(24)14-19/h3-9,14H,10-13,15H2,1-2H3,(H,25,31).
What are the key properties of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 488.54 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24687793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).