N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H17F3N2O2S — CID 55359304

IUPACN-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O2S/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3
InChIKeyULODJTHGRJVLSB-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.78
Rot. Bonds4

About N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55359304) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55359304
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1cccs1)C(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H17F3N2O2S/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3
InChIKeyULODJTHGRJVLSB-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55359304) is N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CN(Cc1cccs1)C(=O)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ULODJTHGRJVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-22(11-15-6-3-7-26-15)17(25)12-8-16(24)23(10-12)14-5-2-4-13(9-14)18(19,20)21/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55359304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).