3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C25H23F3N2O4S — CID 166950322

IUPAC3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1cc(S(=O)(=O)N2CCCC2)cn(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1=O
InChIInChI=1S/C25H23F3N2O4S/c1-17-13-22(35(33,34)30-11-2-3-12-30)15-29(24(17)32)16-23(31)19-9-7-18(8-10-19)20-5-4-6-21(14-20)25(26,27)28/h4-10,13-15H,2-3,11-12,16H2,1H3
InChIKeyQPYXRBVRMIFXRQ-UHFFFAOYSA-N
MW504.53 g/mol
LogP4.51
Rot. Bonds6

About 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 166950322) has the molecular formula C25H23F3N2O4S and a molecular weight of 504.53 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID166950322
Molecular FormulaC25H23F3N2O4S
Molecular Weight504.53 g/mol
Exact Mass504.13
IUPAC Name3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1cc(S(=O)(=O)N2CCCC2)cn(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1=O
InChIInChI=1S/C25H23F3N2O4S/c1-17-13-22(35(33,34)30-11-2-3-12-30)15-29(24(17)32)16-23(31)19-9-7-18(8-10-19)20-5-4-6-21(14-20)25(26,27)28/h4-10,13-15H,2-3,11-12,16H2,1H3
InChIKeyQPYXRBVRMIFXRQ-UHFFFAOYSA-N
XLogP4.51
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-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

Related Compounds

2-[2-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]isoindole-1,3-dione
CID 146642921
2-[2-(1,3-oxazol-2-yl)-4-pyrrolidin-1-ylsulfonylpyrrol-1-yl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146642934
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
CID 122508188
1-[2-[4-(2,6-dimethylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508180
1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146642613
5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one
CID 146643594
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508160
1-[1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-4-sulfanylpyrrol-2-yl]propan-1-one
CID 146643637
CID 131866586
CID 131866586
5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 30175663
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 166950322) is 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is Cc1cc(S(=O)(=O)N2CCCC2)cn(CC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)c1=O.
What is the InChIKey of 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is QPYXRBVRMIFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4S/c1-17-13-22(35(33,34)30-11-2-3-12-30)15-29(24(17)32)16-23(31)19-9-7-18(8-10-19)20-5-4-6-21(14-20)25(26,27)28/h4-10,13-15H,2-3,11-12,16H2,1H3.
What are the key properties of 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 504.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 166950322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).