[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C20H24N2O6S — CID 8663364

IUPAC[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O6S/c1-15(19(23)22-11-3-2-4-12-22)28-20(24)16-7-9-18(10-8-16)29(25,26)21-14-17-6-5-13-27-17/h5-10,13,15,21H,2-4,11-12,14H2,1H3/t15-/m0/s1
InChIKeyZHJAZUKCSLZAII-HNNXBMFYSA-N
MW420.49 g/mol
LogP2.32
Rot. Bonds7

About [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 8663364) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID8663364
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESC[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O6S/c1-15(19(23)22-11-3-2-4-12-22)28-20(24)16-7-9-18(10-8-16)29(25,26)21-14-17-6-5-13-27-17/h5-10,13,15,21H,2-4,11-12,14H2,1H3/t15-/m0/s1
InChIKeyZHJAZUKCSLZAII-HNNXBMFYSA-N
XLogP2.32
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4828945
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954915
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 40843388
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526887
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 55467793
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 8663364) is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is C[C@H](OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is ZHJAZUKCSLZAII-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-15(19(23)22-11-3-2-4-12-22)28-20(24)16-7-9-18(10-8-16)29(25,26)21-14-17-6-5-13-27-17/h5-10,13,15,21H,2-4,11-12,14H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 420.49 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 8663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).