[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate

C18H20N2O5S — CID 55546710

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCSc1ccc(N2CC(C(=O)OCC(=O)N3CCCC3=O)CC2=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-26-14-6-4-13(5-7-14)20-10-12(9-16(20)22)18(24)25-11-17(23)19-8-2-3-15(19)21/h4-7,12H,2-3,8-11H2,1H3
InChIKeyLYFFSXLHTBHLLT-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.45
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 55546710) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID55546710
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCSc1ccc(N2CC(C(=O)OCC(=O)N3CCCC3=O)CC2=O)cc1
InChIInChI=1S/C18H20N2O5S/c1-26-14-6-4-13(5-7-14)20-10-12(9-16(20)22)18(24)25-11-17(23)19-8-2-3-15(19)21/h4-7,12H,2-3,8-11H2,1H3
InChIKeyLYFFSXLHTBHLLT-UHFFFAOYSA-N
XLogP1.45
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892223
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892220
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55548485
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
ethyl 4-[2-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 42970092
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55546544
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524368
N-(2-amino-2-ethylbutyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119642525
phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892342
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 55547519

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 55546710) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate is CSc1ccc(N2CC(C(=O)OCC(=O)N3CCCC3=O)CC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is LYFFSXLHTBHLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-26-14-6-4-13(5-7-14)20-10-12(9-16(20)22)18(24)25-11-17(23)19-8-2-3-15(19)21/h4-7,12H,2-3,8-11H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 55546710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).