3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione

C16H22N2O5S — CID 71915457

IUPAC3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCS(=O)(=O)CCN1C(=O)NC(C)(c2cc(C)ccc2OC)C1=O
InChIInChI=1S/C16H22N2O5S/c1-5-24(21,22)9-8-18-14(19)16(3,17-15(18)20)12-10-11(2)6-7-13(12)23-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyOCTDFHLBJKZUJJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.21
Rot. Bonds6

About 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione

3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 71915457) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID71915457
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCCS(=O)(=O)CCN1C(=O)NC(C)(c2cc(C)ccc2OC)C1=O
InChIInChI=1S/C16H22N2O5S/c1-5-24(21,22)9-8-18-14(19)16(3,17-15(18)20)12-10-11(2)6-7-13(12)23-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyOCTDFHLBJKZUJJ-UHFFFAOYSA-N
XLogP1.21
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.21
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-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione (CID 71915457) is 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione is CCS(=O)(=O)CCN1C(=O)NC(C)(c2cc(C)ccc2OC)C1=O.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is OCTDFHLBJKZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-5-24(21,22)9-8-18-14(19)16(3,17-15(18)20)12-10-11(2)6-7-13(12)23-4/h6-7,10H,5,8-9H2,1-4H3,(H,17,20).
What are the key properties of 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione?
3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 354.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 71915457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).