[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate

C19H19N3O5S — CID 24685902

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H19N3O5S/c20-12-16-6-8-17(9-7-16)28(25,26)22-13-19(24)27-14-18(23)21-11-10-15-4-2-1-3-5-15/h1-9,22H,10-11,13-14H2,(H,21,23)
InChIKeyFWQPFMZOIWKVBY-UHFFFAOYSA-N
MW401.44 g/mol
LogP0.74
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate (PubChem CID 24685902) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
PubChem CID24685902
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
SMILESN#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H19N3O5S/c20-12-16-6-8-17(9-7-16)28(25,26)22-13-19(24)27-14-18(23)21-11-10-15-4-2-1-3-5-15/h1-9,22H,10-11,13-14H2,(H,21,23)
InChIKeyFWQPFMZOIWKVBY-UHFFFAOYSA-N
XLogP0.74
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
[2-(Benzhydrylamino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2419462
N1-phenethyl-N2-((3-tosyloxazolidin-2-yl)methyl)oxalamide
CID 16194997
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 16496039
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 18205594
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3411875
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 4843143
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2110230

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate (CID 24685902) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate is N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
The InChIKey is FWQPFMZOIWKVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c20-12-16-6-8-17(9-7-16)28(25,26)22-13-19(24)27-14-18(23)21-11-10-15-4-2-1-3-5-15/h1-9,22H,10-11,13-14H2,(H,21,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate has a molecular weight of 401.44 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 24685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).