[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

C22H18F3NO6S — CID 33495265

IUPAC[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3NO6S/c1-14-7-8-18(33(29,30)26-12-17-6-3-9-31-17)11-19(14)21(28)32-13-20(27)15-4-2-5-16(10-15)22(23,24)25/h2-11,26H,12-13H2,1H3
InChIKeyFSNRYBWEIZNSLQ-UHFFFAOYSA-N
MW481.45 g/mol
LogP4.13
Rot. Bonds8

About [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate

[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (PubChem CID 33495265) has the molecular formula C22H18F3NO6S and a molecular weight of 481.45 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
PubChem CID33495265
Molecular FormulaC22H18F3NO6S
Molecular Weight481.45 g/mol
Exact Mass481.08
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3NO6S/c1-14-7-8-18(33(29,30)26-12-17-6-3-9-31-17)11-19(14)21(28)32-13-20(27)15-4-2-5-16(10-15)22(23,24)25/h2-11,26H,12-13H2,1H3
InChIKeyFSNRYBWEIZNSLQ-UHFFFAOYSA-N
XLogP4.13
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
(2-amino-2-oxo-1-phenylethyl) 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 46691070
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550260
[1-(difluoromethyl)imidazol-2-yl]methyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18125541
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate (CID 33495265) is [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
The InChIKey is FSNRYBWEIZNSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO6S/c1-14-7-8-18(33(29,30)26-12-17-6-3-9-31-17)11-19(14)21(28)32-13-20(27)15-4-2-5-16(10-15)22(23,24)25/h2-11,26H,12-13H2,1H3.
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate?
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate has a molecular weight of 481.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 33495265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).