[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C21H19FN2O6S — CID 2418521

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O6S/c22-17-7-3-15(4-8-17)12-23-20(25)14-30-21(26)16-5-9-19(10-6-16)31(27,28)24-13-18-2-1-11-29-18/h1-11,24H,12-14H2,(H,23,25)
InChIKeySHFJQXYMBCOYGN-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.37
Rot. Bonds9

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 2418521) has the molecular formula C21H19FN2O6S and a molecular weight of 446.46 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID2418521
Molecular FormulaC21H19FN2O6S
Molecular Weight446.46 g/mol
Exact Mass446.09
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C21H19FN2O6S/c22-17-7-3-15(4-8-17)12-23-20(25)14-30-21(26)16-5-9-19(10-6-16)31(27,28)24-13-18-2-1-11-29-18/h1-11,24H,12-14H2,(H,23,25)
InChIKeySHFJQXYMBCOYGN-UHFFFAOYSA-N
XLogP2.37
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883762
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118591
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 2418521) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is SHFJQXYMBCOYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O6S/c22-17-7-3-15(4-8-17)12-23-20(25)14-30-21(26)16-5-9-19(10-6-16)31(27,28)24-13-18-2-1-11-29-18/h1-11,24H,12-14H2,(H,23,25).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 446.46 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 2418521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).