1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide

C24H23FN2O3S — CID 55389602

IUPAC1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1=O
InChIInChI=1S/C24H23FN2O3S/c1-2-30-20-7-4-3-6-19(20)27-15-17(14-22(27)28)24(29)26-23(21-8-5-13-31-21)16-9-11-18(25)12-10-16/h3-13,17,23H,2,14-15H2,1H3,(H,26,29)
InChIKeyXSYYBMNELLAASI-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.54
Rot. Bonds7

About 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55389602) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55389602
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC Name1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1=O
InChIInChI=1S/C24H23FN2O3S/c1-2-30-20-7-4-3-6-19(20)27-15-17(14-22(27)28)24(29)26-23(21-8-5-13-31-21)16-9-11-18(25)12-10-16/h3-13,17,23H,2,14-15H2,1H3,(H,26,29)
InChIKeyXSYYBMNELLAASI-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-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

(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51154516
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
1-(2-ethoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 24552104
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55454203
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide (CID 55389602) is 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XSYYBMNELLAASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-2-30-20-7-4-3-6-19(20)27-15-17(14-22(27)28)24(29)26-23(21-8-5-13-31-21)16-9-11-18(25)12-10-16/h3-13,17,23H,2,14-15H2,1H3,(H,26,29).
What are the key properties of 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55389602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).