ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

C9H17F3N2O4S — CID 114811500

IUPACethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-4-18-8(15)5-14(7(2)3)19(16,17)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyIJVBYFFAIOPXPN-UHFFFAOYSA-N
MW306.31 g/mol
LogP0.66
Rot. Bonds7

About ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate

ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (PubChem CID 114811500) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
PubChem CID114811500
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Nameethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-4-18-8(15)5-14(7(2)3)19(16,17)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyIJVBYFFAIOPXPN-UHFFFAOYSA-N
XLogP0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The IUPAC name of ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate (CID 114811500) is ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The canonical SMILES for ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
The InChIKey is IJVBYFFAIOPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-4-18-8(15)5-14(7(2)3)19(16,17)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate?
ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate has a molecular weight of 306.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propan-2-yl(2,2,2-trifluoroethylsulfamoyl)amino]acetate is sourced from PubChem (CID 114811500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).