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

C16H16N2O2S — CID 3244167

IUPAC3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H16N2O2S/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,3-6,9-10H,2,7-8,11H2,(H,17,20)
InChIKeyRHAMLOVODPUIAK-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds4

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

3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 3244167) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID3244167
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C16H16N2O2S/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,3-6,9-10H,2,7-8,11H2,(H,17,20)
InChIKeyRHAMLOVODPUIAK-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728842
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 3244167) is 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is RHAMLOVODPUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-7-2-8-18(15)13-5-1-4-12(10-13)16(20)17-11-14-6-3-9-21-14/h1,3-6,9-10H,2,7-8,11H2,(H,17,20).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 3244167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).