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

C17H18N2O2S — CID 92711359

IUPAC(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)[C@@H]1CCN(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)/t15-/m0/s1
InChIKeyNUHVNPAAEPGUFR-HNNXBMFYSA-N
MW314.41 g/mol
LogP2.46
Rot. Bonds5

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

(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 92711359) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID92711359
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name(3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccs1)[C@@H]1CCN(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)/t15-/m0/s1
InChIKeyNUHVNPAAEPGUFR-HNNXBMFYSA-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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Related Compounds

1-(3-chlorophenyl)-3-hydroxy-2-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide;1-(3-chlorophenyl)-2-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 158613571
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
(3R)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97268778
2-oxo-1-(4-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 42853656
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829175
2,3-dihydroxy-4-oxo-4-(4-phenylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide;ethane
CID 143155568
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466

Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 92711359) is (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCc1cccs1)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NUHVNPAAEPGUFR-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
(3S)-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 (3S)-2-oxo-1-phenyl-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92711359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).