[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

C13H17FN2O5S — CID 7961583

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O5S/c1-9(2)16-12(17)8-21-13(18)7-15-22(19,20)11-5-3-4-10(14)6-11/h3-6,9,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyOGZBLNHUXFVNKM-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.17
Rot. Bonds7

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (PubChem CID 7961583) has the molecular formula C13H17FN2O5S and a molecular weight of 332.35 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
PubChem CID7961583
Molecular FormulaC13H17FN2O5S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O5S/c1-9(2)16-12(17)8-21-13(18)7-15-22(19,20)11-5-3-4-10(14)6-11/h3-6,9,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyOGZBLNHUXFVNKM-UHFFFAOYSA-N
XLogP0.17
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961629
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607
[(1S)-1-cyanoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961631
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961701
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954051
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961571
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 8600824
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234482
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961636

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate (CID 7961583) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is CC(C)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
The InChIKey is OGZBLNHUXFVNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O5S/c1-9(2)16-12(17)8-21-13(18)7-15-22(19,20)11-5-3-4-10(14)6-11/h3-6,9,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate has a molecular weight of 332.35 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7961583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).