5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one

C20H21NO4S — CID 54229338

IUPAC5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-25-20-13-12-19(22)21(20)26(23,24)15-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,20H,2,12-13H2,1H3
InChIKeyQICXYPJUWXPHHT-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.64
Rot. Bonds6

About 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one

5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one (PubChem CID 54229338) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one
PubChem CID54229338
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-2-25-20-13-12-19(22)21(20)26(23,24)15-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,20H,2,12-13H2,1H3
InChIKeyQICXYPJUWXPHHT-UHFFFAOYSA-N
XLogP3.64
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one (CID 54229338) is 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)C=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one?
The InChIKey is QICXYPJUWXPHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-2-25-20-13-12-19(22)21(20)26(23,24)15-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,20H,2,12-13H2,1H3.
What are the key properties of 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one?
5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one has a molecular weight of 371.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[2-(4-phenylphenyl)ethenylsulfonyl]pyrrolidin-2-one is sourced from PubChem (CID 54229338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).