5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione

C18H18N2O4S — CID 11291300

IUPAC5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H18N2O4S/c1-3-18(14-7-5-4-6-8-14)16(21)20(17(22)19-18)25(23,24)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,19,22)
InChIKeyUBOYWZGGYJNWIT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.54
Rot. Bonds4

About 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione

5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione (PubChem CID 11291300) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione
PubChem CID11291300
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1=O
InChIInChI=1S/C18H18N2O4S/c1-3-18(14-7-5-4-6-8-14)16(21)20(17(22)19-18)25(23,24)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,19,22)
InChIKeyUBOYWZGGYJNWIT-UHFFFAOYSA-N
XLogP2.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione (CID 11291300) is 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1=O.
What is the InChIKey of 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is UBOYWZGGYJNWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-18(14-7-5-4-6-8-14)16(21)20(17(22)19-18)25(23,24)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3,(H,19,22).
What are the key properties of 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione?
5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 358.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methylphenyl)sulfonyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11291300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).