[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

C15H15FN2O7S — CID 7883762

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C15H15FN2O7S/c16-11-3-5-13(6-4-11)26(21,22)18-25-10-15(20)24-9-14(19)17-8-12-2-1-7-23-12/h1-7,18H,8-10H2,(H,17,19)
InChIKeyNCZJABFDRZBSIF-UHFFFAOYSA-N
MW386.36 g/mol
LogP0.49
Rot. Bonds9

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (PubChem CID 7883762) has the molecular formula C15H15FN2O7S and a molecular weight of 386.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
PubChem CID7883762
Molecular FormulaC15H15FN2O7S
Molecular Weight386.36 g/mol
Exact Mass386.06
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESO=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C15H15FN2O7S/c16-11-3-5-13(6-4-11)26(21,22)18-25-10-15(20)24-9-14(19)17-8-12-2-1-7-23-12/h1-7,18H,8-10H2,(H,17,19)
InChIKeyNCZJABFDRZBSIF-UHFFFAOYSA-N
XLogP0.49
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2352929
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 40624817
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859315

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (CID 7883762) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is O=C(COC(=O)CONS(=O)(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The InChIKey is NCZJABFDRZBSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O7S/c16-11-3-5-13(6-4-11)26(21,22)18-25-10-15(20)24-9-14(19)17-8-12-2-1-7-23-12/h1-7,18H,8-10H2,(H,17,19).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate has a molecular weight of 386.36 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is sourced from PubChem (CID 7883762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).