N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C20H23N3O3S — CID 4782385

IUPACN-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-22(14-18(24)21-13-17-5-4-12-27-17)20(26)15-7-9-16(10-8-15)23-11-3-6-19(23)25/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,21,24)
InChIKeyFHNFDAIJOQLRRF-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.65
Rot. Bonds7

About N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 4782385) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID4782385
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O3S/c1-2-22(14-18(24)21-13-17-5-4-12-27-17)20(26)15-7-9-16(10-8-15)23-11-3-6-19(23)25/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,21,24)
InChIKeyFHNFDAIJOQLRRF-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257463
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
N,N-diethyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 32620770
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2,2-diphenylacetamide
CID 4782981
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
N-ethyl-2-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1H-quinoline-4-carboxamide
CID 4781530
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 4782385) is N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is FHNFDAIJOQLRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-22(14-18(24)21-13-17-5-4-12-27-17)20(26)15-7-9-16(10-8-15)23-11-3-6-19(23)25/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,21,24).
What are the key properties of N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 385.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 4782385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).