[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

C13H15FN2O5S — CID 7983047

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NC1CC1
InChIInChI=1S/C13H15FN2O5S/c14-10-3-1-2-4-11(10)22(19,20)15-7-13(18)21-8-12(17)16-9-5-6-9/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyOXJLWBHGYHQWPU-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.07
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 7983047) has the molecular formula C13H15FN2O5S and a molecular weight of 330.34 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID7983047
Molecular FormulaC13H15FN2O5S
Molecular Weight330.34 g/mol
Exact Mass330.07
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NC1CC1
InChIInChI=1S/C13H15FN2O5S/c14-10-3-1-2-4-11(10)22(19,20)15-7-13(18)21-8-12(17)16-9-5-6-9/h1-4,9,15H,5-8H2,(H,16,17)
InChIKeyOXJLWBHGYHQWPU-UHFFFAOYSA-N
XLogP-0.07
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
[2-(cyclohexylamino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961771
[2-(cyclopropylamino)-2-oxoethyl] 4-[(2,4-difluorophenyl)sulfonylamino]butanoate
CID 8537264
[2-(cyclopentylamino)-2-oxoethyl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 7978247
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061234
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 7983051
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
CID 29385046
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954163
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 8600824
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 7983047) is [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccccc1F)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is OXJLWBHGYHQWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5S/c14-10-3-1-2-4-11(10)22(19,20)15-7-13(18)21-8-12(17)16-9-5-6-9/h1-4,9,15H,5-8H2,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 330.34 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7983047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).