4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide

C16H16N2O2S — CID 2439556

IUPAC4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H16N2O2S/c19-15-4-1-9-18(15)13-7-5-12(6-8-13)16(20)17-11-14-3-2-10-21-14/h2-3,5-8,10H,1,4,9,11H2,(H,17,20)
InChIKeyHYHOPCLWONKBTP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.80
Rot. Bonds4

About 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide

4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2439556) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2439556
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H16N2O2S/c19-15-4-1-9-18(15)13-7-5-12(6-8-13)16(20)17-11-14-3-2-10-21-14/h2-3,5-8,10H,1,4,9,11H2,(H,17,20)
InChIKeyHYHOPCLWONKBTP-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

3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4782385
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9453685
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-(furan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3235861
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 50754186
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257463

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 2439556) is 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HYHOPCLWONKBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15-4-1-9-18(15)13-7-5-12(6-8-13)16(20)17-11-14-3-2-10-21-14/h2-3,5-8,10H,1,4,9,11H2,(H,17,20).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-(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 4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2439556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).