1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide

C14H20N2O3S — CID 111452200

IUPAC1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(C)(O)c2ccsc2)CC1=O
InChIInChI=1S/C14H20N2O3S/c1-3-16-7-10(6-12(16)17)13(18)15-9-14(2,19)11-4-5-20-8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyRLQSAONDODNXFR-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.94
Rot. Bonds5

About 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide

1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 111452200) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID111452200
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC(C)(O)c2ccsc2)CC1=O
InChIInChI=1S/C14H20N2O3S/c1-3-16-7-10(6-12(16)17)13(18)15-9-14(2,19)11-4-5-20-8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyRLQSAONDODNXFR-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 111452112
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 111335248
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
CID 96567072
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472763
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
N-(3,3-difluoro-2-hydroxypropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 113258530
tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 95317988
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-2-ylpropyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 111441950

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 111452200) is 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCC(C)(O)c2ccsc2)CC1=O.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RLQSAONDODNXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-16-7-10(6-12(16)17)13(18)15-9-14(2,19)11-4-5-20-8-11/h4-5,8,10,19H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111452200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).