4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C20H19F3N2O2S — CID 55360119

IUPAC4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2cccs2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)14-4-1-5-15(11-14)25-12-13(10-18(25)26)19(27)24-8-2-6-16(24)17-7-3-9-28-17/h1,3-5,7,9,11,13,16H,2,6,8,10,12H2
InChIKeyGKZZVUDHLPDWAI-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.48
Rot. Bonds3

About 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 55360119) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID55360119
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2cccs2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)14-4-1-5-15(11-14)25-12-13(10-18(25)26)19(27)24-8-2-6-16(24)17-7-3-9-28-17/h1,3-5,7,9,11,13,16H,2,6,8,10,12H2
InChIKeyGKZZVUDHLPDWAI-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 55360119) is 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2c2cccs2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is GKZZVUDHLPDWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c21-20(22,23)14-4-1-5-15(11-14)25-12-13(10-18(25)26)19(27)24-8-2-6-16(24)17-7-3-9-28-17/h1,3-5,7,9,11,13,16H,2,6,8,10,12H2.
What are the key properties of 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 408.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 55360119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).