1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C25H24N2O4S — CID 146642613

IUPAC1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESC=Cc1cccc(-c2ccc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cc2)c1
InChIInChI=1S/C25H24N2O4S/c1-2-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(28)18-26-17-23(12-13-25(26)29)32(30,31)27-14-3-4-15-27/h2,5-13,16-17H,1,3-4,14-15,18H2
InChIKeyCYIISFBMMNDOJM-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.83
Rot. Bonds7

About 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 146642613) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID146642613
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESC=Cc1cccc(-c2ccc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cc2)c1
InChIInChI=1S/C25H24N2O4S/c1-2-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(28)18-26-17-23(12-13-25(26)29)32(30,31)27-14-3-4-15-27/h2,5-13,16-17H,1,3-4,14-15,18H2
InChIKeyCYIISFBMMNDOJM-UHFFFAOYSA-N
XLogP3.83
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 146642613) is 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is C=Cc1cccc(-c2ccc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)cc2)c1.
What is the InChIKey of 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is CYIISFBMMNDOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-2-19-6-5-7-22(16-19)20-8-10-21(11-9-20)24(28)18-26-17-23(12-13-25(26)29)32(30,31)27-14-3-4-15-27/h2,5-13,16-17H,1,3-4,14-15,18H2.
What are the key properties of 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 448.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 146642613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).