1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

C20H22N2O2S — CID 51195802

IUPAC1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C20H22N2O2S/c23-19-6-2-11-21(19)14-15-7-9-16(10-8-15)20(24)22-12-1-4-17(22)18-5-3-13-25-18/h3,5,7-10,13,17H,1-2,4,6,11-12,14H2
InChIKeyGLFLXMDOUMCDCI-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.85
Rot. Bonds4

About 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 51195802) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID51195802
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1
InChIInChI=1S/C20H22N2O2S/c23-19-6-2-11-21(19)14-15-7-9-16(10-8-15)20(24)22-12-1-4-17(22)18-5-3-13-25-18/h3,5,7-10,13,17H,1-2,4,6,11-12,14H2
InChIKeyGLFLXMDOUMCDCI-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[5-(4-ethylphenyl)thiophene-2-carbonyl]-methylamino]-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 11719447
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484611
9b-(2-Thienyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bH)-one
CID 455079
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
(S)-benzo[b]thiophen-2-yl(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 15604794
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[4-(2-thienyl)phenyl]ethane-1,2-dione
CID 44191363
N-(1-Benzyl-pyrrolidin-3-yl)-4-thiophen-2-yl-benzamide
CID 44214766

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (CID 51195802) is 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1ccc(C(=O)N2CCCC2c2cccs2)cc1.
What is the InChIKey of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is GLFLXMDOUMCDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-19-6-2-11-21(19)14-15-7-9-16(10-8-15)20(24)22-12-1-4-17(22)18-5-3-13-25-18/h3,5,7-10,13,17H,1-2,4,6,11-12,14H2.
What are the key properties of 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 354.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 51195802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).