1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C18H20N2O3S — CID 51154516

IUPAC1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2cccs2)CC1=O
InChIInChI=1S/C18H20N2O3S/c1-2-23-16-8-4-3-7-15(16)20-12-13(10-17(20)21)18(22)19-11-14-6-5-9-24-14/h3-9,13H,2,10-12H2,1H3,(H,19,22)
InChIKeyWPPLPDKTKZZHRK-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 51154516) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID51154516
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2cccs2)CC1=O
InChIInChI=1S/C18H20N2O3S/c1-2-23-16-8-4-3-7-15(16)20-12-13(10-17(20)21)18(22)19-11-14-6-5-9-24-14/h3-9,13H,2,10-12H2,1H3,(H,19,22)
InChIKeyWPPLPDKTKZZHRK-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
1-(2-ethoxyphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 134023136
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 55389602
1-(2-ethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24553269
1-(2-ethoxyphenyl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51181913
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148
1-(2-ethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943263

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 51154516) is 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NCc2cccs2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WPPLPDKTKZZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-23-16-8-4-3-7-15(16)20-12-13(10-17(20)21)18(22)19-11-14-6-5-9-24-14/h3-9,13H,2,10-12H2,1H3,(H,19,22).
What are the key properties of 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51154516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).