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

C33H28N2O4S — CID 122508160

IUPAC1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C33H28N2O4S/c36-32(23-34-22-31(16-17-33(34)37)40(38,39)35-18-3-4-19-35)30-9-5-8-28(21-30)25-10-12-26(13-11-25)29-15-14-24-6-1-2-7-27(24)20-29/h1-2,5-17,20-22H,3-4,18-19,23H2
InChIKeyCJLLSFKHTKBITM-UHFFFAOYSA-N
MW548.66 g/mol
LogP6.00
Rot. Bonds7

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

1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 122508160) has the molecular formula C33H28N2O4S and a molecular weight of 548.66 g/mol. Its IUPAC name is 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID122508160
Molecular FormulaC33H28N2O4S
Molecular Weight548.66 g/mol
Exact Mass548.18
IUPAC Name1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C33H28N2O4S/c36-32(23-34-22-31(16-17-33(34)37)40(38,39)35-18-3-4-19-35)30-9-5-8-28(21-30)25-10-12-26(13-11-25)29-15-14-24-6-1-2-7-27(24)20-29/h1-2,5-17,20-22H,3-4,18-19,23H2
InChIKeyCJLLSFKHTKBITM-UHFFFAOYSA-N
XLogP6.00
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146642613
1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146402867
1-[2-[4-(2,6-dimethylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508180
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
1-[2-(1-naphthalen-2-yl-4-phenylcyclohexa-2,5-dien-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146458332
1-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 24622588
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16617153
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508148
3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166950322
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 122508160) is 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cccc(-c2ccc(-c3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is CJLLSFKHTKBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O4S/c36-32(23-34-22-31(16-17-33(34)37)40(38,39)35-18-3-4-19-35)30-9-5-8-28(21-30)25-10-12-26(13-11-25)29-15-14-24-6-1-2-7-27(24)20-29/h1-2,5-17,20-22H,3-4,18-19,23H2.
What are the key properties of 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 548.66 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 122508160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).