N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide

C21H27N3O2S — CID 86983782

IUPACN-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCC(=O)N1CCCC1c1cccs1)C(C)=O
InChIInChI=1S/C21H27N3O2S/c1-3-23(16(2)25)15-17-8-4-5-9-18(17)22-14-21(26)24-12-6-10-19(24)20-11-7-13-27-20/h4-5,7-9,11,13,19,22H,3,6,10,12,14-15H2,1-2H3
InChIKeyUOYGFGFKTRBUQZ-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.89
Rot. Bonds7

About N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide

N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide (PubChem CID 86983782) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
PubChem CID86983782
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide
SMILESCCN(Cc1ccccc1NCC(=O)N1CCCC1c1cccs1)C(C)=O
InChIInChI=1S/C21H27N3O2S/c1-3-23(16(2)25)15-17-8-4-5-9-18(17)22-14-21(26)24-12-6-10-19(24)20-11-7-13-27-20/h4-5,7-9,11,13,19,22H,3,6,10,12,14-15H2,1-2H3
InChIKeyUOYGFGFKTRBUQZ-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(2-methoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78807944
2-(2-chloroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199463
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94058448
2-(2-methyl-3-nitroanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199558
2-(5-chloro-2,4-dimethoxyanilino)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17423018
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 78963103
N-tert-butyl-2-[ethyl-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]acetamide
CID 51199584
5-chloro-N-methyl-2-[[2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]amino]benzamide
CID 94630105
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 86826316
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
ethyl (E)-3-[4-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]prop-2-enoate
CID 51282466
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide (CID 86983782) is N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide is CCN(Cc1ccccc1NCC(=O)N1CCCC1c1cccs1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide?
The InChIKey is UOYGFGFKTRBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-23(16(2)25)15-17-8-4-5-9-18(17)22-14-21(26)24-12-6-10-19(24)20-11-7-13-27-20/h4-5,7-9,11,13,19,22H,3,6,10,12,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide?
N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide has a molecular weight of 385.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-[[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 86983782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).