[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

C15H20FN3O6S — CID 7982956

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H20FN3O6S/c1-15(2,3)19-14(22)18-12(20)9-25-13(21)8-17-26(23,24)11-7-5-4-6-10(11)16/h4-7,17H,8-9H2,1-3H3,(H2,18,19,20,22)
InChIKeyHHOLLEOLZDHAJJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.27
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (PubChem CID 7982956) has the molecular formula C15H20FN3O6S and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
PubChem CID7982956
Molecular FormulaC15H20FN3O6S
Molecular Weight389.41 g/mol
Exact Mass389.11
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H20FN3O6S/c1-15(2,3)19-14(22)18-12(20)9-25-13(21)8-17-26(23,24)11-7-5-4-6-10(11)16/h4-7,17H,8-9H2,1-3H3,(H2,18,19,20,22)
InChIKeyHHOLLEOLZDHAJJ-UHFFFAOYSA-N
XLogP0.27
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.27
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-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate (CID 7982956) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
The InChIKey is HHOLLEOLZDHAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O6S/c1-15(2,3)19-14(22)18-12(20)9-25-13(21)8-17-26(23,24)11-7-5-4-6-10(11)16/h4-7,17H,8-9H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]acetate has a molecular weight of 389.41 g/mol, XLogP of 0.27, 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-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7982956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).