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

C17H18N2O2S — CID 20964219

IUPAC2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O2S/c20-16(18-10-8-14-7-4-12-22-14)15-9-11-19(17(15)21)13-5-2-1-3-6-13/h1-7,12,15H,8-11H2,(H,18,20)
InChIKeyNUHVNPAAEPGUFR-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.46
Rot. Bonds5

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

2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 20964219) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID20964219
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O2S/c20-16(18-10-8-14-7-4-12-22-14)15-9-11-19(17(15)21)13-5-2-1-3-6-13/h1-7,12,15H,8-11H2,(H,18,20)
InChIKeyNUHVNPAAEPGUFR-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 20964219) is 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1cccs1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NUHVNPAAEPGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(18-10-8-14-7-4-12-22-14)15-9-11-19(17(15)21)13-5-2-1-3-6-13/h1-7,12,15H,8-11H2,(H,18,20).
What are the key properties of 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 20964219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).