5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one

C25H25NO3S — CID 134958502

IUPAC5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
SMILESCCC1CC(c2ccccc2)(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H25NO3S/c1-3-22-18-25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24(27)26(22)30(28,29)23-16-14-19(2)15-17-23/h4-17,22H,3,18H2,1-2H3
InChIKeyARGNOWDUODCBKK-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.68
Rot. Bonds5

About 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one

5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one (PubChem CID 134958502) has the molecular formula C25H25NO3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
PubChem CID134958502
Molecular FormulaC25H25NO3S
Molecular Weight419.55 g/mol
Exact Mass419.16
IUPAC Name5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
SMILESCCC1CC(c2ccccc2)(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H25NO3S/c1-3-22-18-25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24(27)26(22)30(28,29)23-16-14-19(2)15-17-23/h4-17,22H,3,18H2,1-2H3
InChIKeyARGNOWDUODCBKK-UHFFFAOYSA-N
XLogP4.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-cyclopropyl-1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-3-phenylazetidin-2-one
CID 101161462
(2R,3S,5S)-5-ethyl-3-iodo-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 10950521
2-(iodomethyl)-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102531052
2-benzyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102221375
(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
CID 101161455
(3S,5R)-5-benzyl-3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 11035300
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
CID 3030557
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
4-(bromomethyl)-1-(4-methylphenyl)sulfonylazetidin-2-one
CID 86016527
(2R)-1-(4-methylphenyl)sulfonyl-4,4-diphenyl-2-propan-2-ylpyrrolidine
CID 134848112

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one (CID 134958502) is 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one is CCC1CC(c2ccccc2)(c2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one?
The InChIKey is ARGNOWDUODCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S/c1-3-22-18-25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24(27)26(22)30(28,29)23-16-14-19(2)15-17-23/h4-17,22H,3,18H2,1-2H3.
What are the key properties of 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one?
5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one has a molecular weight of 419.55 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 134958502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).