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

C16H16N2O3S — CID 56960117

IUPAC(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H16N2O3S/c19-14(17-11-13-7-4-10-22-13)16(21)8-9-18(15(16)20)12-5-2-1-3-6-12/h1-7,10,21H,8-9,11H2,(H,17,19)/t16-/m0/s1
InChIKeyUVNFRPBMSMXYGA-INIZCTEOSA-N
MW316.38 g/mol
LogP1.53
Rot. Bonds4

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

(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 56960117) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID56960117
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H16N2O3S/c19-14(17-11-13-7-4-10-22-13)16(21)8-9-18(15(16)20)12-5-2-1-3-6-12/h1-7,10,21H,8-9,11H2,(H,17,19)/t16-/m0/s1
InChIKeyUVNFRPBMSMXYGA-INIZCTEOSA-N
XLogP1.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-hydroxy-2-oxo-1-phenyl-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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 56960117) is (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccs1)[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is UVNFRPBMSMXYGA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-14(17-11-13-7-4-10-22-13)16(21)8-9-18(15(16)20)12-5-2-1-3-6-12/h1-7,10,21H,8-9,11H2,(H,17,19)/t16-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).