1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione

C20H21NO2S — CID 91899494

IUPAC1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione
SMILESO=C1CN(CCc2ccccc2)C(=O)C1SCCc1ccccc1
InChIInChI=1S/C20H21NO2S/c22-18-15-21(13-11-16-7-3-1-4-8-16)20(23)19(18)24-14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyOQCOASITJXAPLM-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.98
Rot. Bonds7

About 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione

1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione (PubChem CID 91899494) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione
PubChem CID91899494
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione
SMILESO=C1CN(CCc2ccccc2)C(=O)C1SCCc1ccccc1
InChIInChI=1S/C20H21NO2S/c22-18-15-21(13-11-16-7-3-1-4-8-16)20(23)19(18)24-14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2
InChIKeyOQCOASITJXAPLM-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione (CID 91899494) is 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione is O=C1CN(CCc2ccccc2)C(=O)C1SCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione?
The InChIKey is OQCOASITJXAPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c22-18-15-21(13-11-16-7-3-1-4-8-16)20(23)19(18)24-14-12-17-9-5-2-6-10-17/h1-10,19H,11-15H2.
What are the key properties of 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione?
1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione has a molecular weight of 339.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 91899494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).