N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C18H18F2N2O2S — CID 71890235

IUPACN-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C18H18F2N2O2S/c1-2-21-10-12(8-17(21)23)18(24)22(11-14-4-3-7-25-14)16-6-5-13(19)9-15(16)20/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyVRVKZFDFDAGFMN-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.43
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 71890235) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID71890235
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C18H18F2N2O2S/c1-2-21-10-12(8-17(21)23)18(24)22(11-14-4-3-7-25-14)16-6-5-13(19)9-15(16)20/h3-7,9,12H,2,8,10-11H2,1H3
InChIKeyVRVKZFDFDAGFMN-UHFFFAOYSA-N
XLogP3.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide 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

3-Methylthiofentanyl
CID 62296
Thiofentanyl
CID 62380
Thenylfentanyl
CID 21595404
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
cis-N-(1-(2-(2-Thienyl)ethyl)-3-methyl-4-piperidyl)-N-phenylpropanamide hydrochloride
CID 91864482
1-(4-fluorophenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-oxopyrrolidine-3-carbohydrazide
CID 9632113
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 654468
1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2998754
1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 653269
2-[1-ethyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950381
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-(thiophen-2-ylmethyl)pyrrolidine-2,5-dione
CID 2982519
N-phenyl-N-[1-(2-thiophen-2-ylethyl)azepan-4-yl]propanamide
CID 73212683

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 71890235) is N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CCN1CC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is VRVKZFDFDAGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-2-21-10-12(8-17(21)23)18(24)22(11-14-4-3-7-25-14)16-6-5-13(19)9-15(16)20/h3-7,9,12H,2,8,10-11H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71890235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).