3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

C19H20N2O2S — CID 78813579

IUPAC3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-2-10-20(14-17-8-5-12-24-17)19(23)15-6-3-7-16(13-15)21-11-4-9-18(21)22/h2-3,5-8,12-13H,1,4,9-11,14H2
InChIKeyGISXVKGBAXRXFK-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.70
Rot. Bonds6

About 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78813579) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78813579
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-2-10-20(14-17-8-5-12-24-17)19(23)15-6-3-7-16(13-15)21-11-4-9-18(21)22/h2-3,5-8,12-13H,1,4,9-11,14H2
InChIKeyGISXVKGBAXRXFK-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
CID 55920117
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27830091
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9395109
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728842
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4782385
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
1-[3-(1-hydroxyethenyl)phenyl]pyrrolidin-2-one
CID 70316561

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (CID 78813579) is 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is C=CCN(Cc1cccs1)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GISXVKGBAXRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-10-20(14-17-8-5-12-24-17)19(23)15-6-3-7-16(13-15)21-11-4-9-18(21)22/h2-3,5-8,12-13H,1,4,9-11,14H2.
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78813579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).