[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate

C15H19F2N3O6S — CID 7956259

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O6S/c1-15(2,3)20-14(23)19-11(21)8-26-12(22)7-18-27(24,25)13-9(16)5-4-6-10(13)17/h4-6,18H,7-8H2,1-3H3,(H2,19,20,21,23)
InChIKeyNSZQYGROGILIFX-UHFFFAOYSA-N
MW407.40 g/mol
LogP0.41
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate (PubChem CID 7956259) has the molecular formula C15H19F2N3O6S and a molecular weight of 407.40 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
PubChem CID7956259
Molecular FormulaC15H19F2N3O6S
Molecular Weight407.40 g/mol
Exact Mass407.10
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C15H19F2N3O6S/c1-15(2,3)20-14(23)19-11(21)8-26-12(22)7-18-27(24,25)13-9(16)5-4-6-10(13)17/h4-6,18H,7-8H2,1-3H3,(H2,19,20,21,23)
InChIKeyNSZQYGROGILIFX-UHFFFAOYSA-N
XLogP0.41
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate (CID 7956259) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The InChIKey is NSZQYGROGILIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O6S/c1-15(2,3)20-14(23)19-11(21)8-26-12(22)7-18-27(24,25)13-9(16)5-4-6-10(13)17/h4-6,18H,7-8H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate has a molecular weight of 407.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7956259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).