5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one

C15H19NO5S — CID 6450616

IUPAC5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5S/c1-3-21-15-9-8-14(17)16(15)22(18,19)11-10-12-4-6-13(20-2)7-5-12/h4-7,10-11,15H,3,8-9H2,1-2H3/b11-10+
InChIKeyCMDRHQMJVGPJMF-ZHACJKMWSA-N
MW325.39 g/mol
LogP1.98
Rot. Bonds6

About 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one

5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one (PubChem CID 6450616) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one
PubChem CID6450616
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H19NO5S/c1-3-21-15-9-8-14(17)16(15)22(18,19)11-10-12-4-6-13(20-2)7-5-12/h4-7,10-11,15H,3,8-9H2,1-2H3/b11-10+
InChIKeyCMDRHQMJVGPJMF-ZHACJKMWSA-N
XLogP1.98
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one (CID 6450616) is 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one?
The InChIKey is CMDRHQMJVGPJMF-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-3-21-15-9-8-14(17)16(15)22(18,19)11-10-12-4-6-13(20-2)7-5-12/h4-7,10-11,15H,3,8-9H2,1-2H3/b11-10+.
What are the key properties of 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one?
5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one has a molecular weight of 325.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylpyrrolidin-2-one is sourced from PubChem (CID 6450616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).