5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione

C25H30N4O5S — CID 24982341

IUPAC5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-18(2)19-9-11-21(12-10-19)35(33,34)28-15-13-27(14-16-28)22(30)17-29-23(31)25(3,26-24(29)32)20-7-5-4-6-8-20/h4-12,18H,13-17H2,1-3H3,(H,26,32)
InChIKeyMASBIWFHLYZSBE-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.11
Rot. Bonds6

About 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione

5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 24982341) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID24982341
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-18(2)19-9-11-21(12-10-19)35(33,34)28-15-13-27(14-16-28)22(30)17-29-23(31)25(3,26-24(29)32)20-7-5-4-6-8-20/h4-12,18H,13-17H2,1-3H3,(H,26,32)
InChIKeyMASBIWFHLYZSBE-UHFFFAOYSA-N
XLogP2.11
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.11
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-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione (CID 24982341) is 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is MASBIWFHLYZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-18(2)19-9-11-21(12-10-19)35(33,34)28-15-13-27(14-16-28)22(30)17-29-23(31)25(3,26-24(29)32)20-7-5-4-6-8-20/h4-12,18H,13-17H2,1-3H3,(H,26,32).
What are the key properties of 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione?
5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 498.61 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-oxo-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 24982341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).