N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide

C17H26N2O3S — CID 111441950

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)N1CC(C(=O)NCC(C)(O)c2cccs2)CC1=O
InChIInChI=1S/C17H26N2O3S/c1-4-6-12(2)19-10-13(9-15(19)20)16(21)18-11-17(3,22)14-7-5-8-23-14/h5,7-8,12-13,22H,4,6,9-11H2,1-3H3,(H,18,21)
InChIKeyFBLHMMZGHOQSMU-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.11
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 111441950) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID111441950
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)N1CC(C(=O)NCC(C)(O)c2cccs2)CC1=O
InChIInChI=1S/C17H26N2O3S/c1-4-6-12(2)19-10-13(9-15(19)20)16(21)18-11-17(3,22)14-7-5-8-23-14/h5,7-8,12-13,22H,4,6,9-11H2,1-3H3,(H,18,21)
InChIKeyFBLHMMZGHOQSMU-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111442087
5-oxo-1-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxylic acid
CID 54962875
2-(dimethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylbutanamide
CID 111442311
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111519785
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-piperidin-1-ylsulfonylbenzamide
CID 90499866
N-[(2S)-1-aminopropan-2-yl]-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120506404
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119599238
1-butan-2-yl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182112

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide (CID 111441950) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)N1CC(C(=O)NCC(C)(O)c2cccs2)CC1=O.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FBLHMMZGHOQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-6-12(2)19-10-13(9-15(19)20)16(21)18-11-17(3,22)14-7-5-8-23-14/h5,7-8,12-13,22H,4,6,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 111441950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).