[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate

C15H15N3O6S — CID 24688091

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C15H15N3O6S/c16-8-11-3-5-12(6-4-11)25(22,23)17-9-15(21)24-10-14(20)18-7-1-2-13(18)19/h3-6,17H,1-2,7,9-10H2
InChIKeyAGSUDSOGQRHZKQ-UHFFFAOYSA-N
MW365.37 g/mol
LogP-0.47
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate (PubChem CID 24688091) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
PubChem CID24688091
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C15H15N3O6S/c16-8-11-3-5-12(6-4-11)25(22,23)17-9-15(21)24-10-14(20)18-7-1-2-13(18)19/h3-6,17H,1-2,7,9-10H2
InChIKeyAGSUDSOGQRHZKQ-UHFFFAOYSA-N
XLogP-0.47
TPSA133.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate (CID 24688091) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate is N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The InChIKey is AGSUDSOGQRHZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c16-8-11-3-5-12(6-4-11)25(22,23)17-9-15(21)24-10-14(20)18-7-1-2-13(18)19/h3-6,17H,1-2,7,9-10H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate has a molecular weight of 365.37 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 24688091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).