2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide

C19H18F3N3O3S — CID 86834039

IUPAC2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)13-4-1-3-11(7-13)14(9-25-6-2-5-16(25)26)24-18(28)15-8-12(10-29-15)17(23)27/h1,3-4,7-8,10,14H,2,5-6,9H2,(H2,23,27)(H,24,28)
InChIKeyIHRGFOSCYBUUBG-UHFFFAOYSA-N
MW425.43 g/mol
LogP2.96
Rot. Bonds6

About 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide

2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide (PubChem CID 86834039) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
PubChem CID86834039
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)13-4-1-3-11(7-13)14(9-25-6-2-5-16(25)26)24-18(28)15-8-12(10-29-15)17(23)27/h1,3-4,7-8,10,14H,2,5-6,9H2,(H2,23,27)(H,24,28)
InChIKeyIHRGFOSCYBUUBG-UHFFFAOYSA-N
XLogP2.96
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide 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

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
4-(methoxymethyl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 55714545
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(propylsulfonylamino)benzamide
CID 55714634
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
3-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 55714668
2-(1-methylpyrazol-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 55791212
(3S)-3-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 51948108

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide (CID 86834039) is 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NC(CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
The InChIKey is IHRGFOSCYBUUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c20-19(21,22)13-4-1-3-11(7-13)14(9-25-6-2-5-16(25)26)24-18(28)15-8-12(10-29-15)17(23)27/h1,3-4,7-8,10,14H,2,5-6,9H2,(H2,23,27)(H,24,28).
What are the key properties of 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide?
2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide has a molecular weight of 425.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 86834039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).