3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

C17H18N2O3S — CID 56960254

IUPAC3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)
InChIKeyFZATYXICMFSLHR-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.57
Rot. Bonds5

About 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 56960254) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID56960254
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)
InChIKeyFZATYXICMFSLHR-UHFFFAOYSA-N
XLogP1.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 56959820
(3S)-3-hydroxy-N-[2-(5-methylthiophen-2-yl)ethyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56959518
(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 56960117
(3S)-3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960533
(3S)-3-hydroxy-N-[(4-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960810
(3S)-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56960811
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-Oxo-1-phenylpyrrolidine-3-carboxylic acid (2-thiophen-2-ylethyl)amide
CID 20964219
(3R)-3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 89893205
N-(5-oxo-1-phenylpyrrolidin-3-yl)-2-thiophen-2-ylacetamide
CID 16032365

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 56960254) is 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1cccs1)C1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FZATYXICMFSLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20).
What are the key properties of 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).