2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H23N3O4S — CID 167778212

IUPAC2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H23N3O4S/c22-16(13-20-11-4-8-18(9-10-18)26(20,24)25)19-14-5-1-2-6-15(14)21-12-3-7-17(21)23/h1-2,5-6H,3-4,7-13H2,(H,19,22)
InChIKeyXFLMKNSMUHTNJB-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.71
Rot. Bonds4

About 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 167778212) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID167778212
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C18H23N3O4S/c22-16(13-20-11-4-8-18(9-10-18)26(20,24)25)19-14-5-1-2-6-15(14)21-12-3-7-17(21)23/h1-2,5-6H,3-4,7-13H2,(H,19,22)
InChIKeyXFLMKNSMUHTNJB-UHFFFAOYSA-N
XLogP1.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-oxoacridin-10-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 16583770
2-(4-hydroxypiperidin-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41335965
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-pyrazol-1-ylacetamide
CID 39724891
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
2-cyclopentyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51228887
2-(2-aminoethoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 79473885
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41359869
2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119906002
1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909357
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-phenylcyclobutane-1-carboxylate
CID 17475320
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 167778212) is 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN1CCCC2(CC2)S1(=O)=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XFLMKNSMUHTNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c22-16(13-20-11-4-8-18(9-10-18)26(20,24)25)19-14-5-1-2-6-15(14)21-12-3-7-17(21)23/h1-2,5-6H,3-4,7-13H2,(H,19,22).
What are the key properties of 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dioxo-4λ6-thia-5-azaspiro[2.5]octan-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 167778212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).