[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C20H19NO5S — CID 8663360

IUPAC[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-15(16-6-3-2-4-7-16)26-20(22)17-9-11-19(12-10-17)27(23,24)21-14-18-8-5-13-25-18/h2-13,15,21H,14H2,1H3/t15-/m1/s1
InChIKeyBFMRJQPGXILINX-OAHLLOKOSA-N
MW385.44 g/mol
LogP3.68
Rot. Bonds7

About [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 8663360) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID8663360
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-15(16-6-3-2-4-7-16)26-20(22)17-9-11-19(12-10-17)27(23,24)21-14-18-8-5-13-25-18/h2-13,15,21H,14H2,1H3/t15-/m1/s1
InChIKeyBFMRJQPGXILINX-OAHLLOKOSA-N
XLogP3.68
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 40843388
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072
4-(furan-2-ylmethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 24548503
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[(1R)-2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2112676
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 8663360) is [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is BFMRJQPGXILINX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-15(16-6-3-2-4-7-16)26-20(22)17-9-11-19(12-10-17)27(23,24)21-14-18-8-5-13-25-18/h2-13,15,21H,14H2,1H3/t15-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 385.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 8663360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).