[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C23H22N2O6S — CID 4828945

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H22N2O6S/c1-16(22(26)25-13-12-17-5-2-3-7-21(17)25)31-23(27)18-8-10-20(11-9-18)32(28,29)24-15-19-6-4-14-30-19/h2-11,14,16,24H,12-13,15H2,1H3
InChIKeyVBQTWEMFCQJXSO-UHFFFAOYSA-N
MW454.50 g/mol
LogP2.89
Rot. Bonds7

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 4828945) has the molecular formula C23H22N2O6S and a molecular weight of 454.50 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID4828945
Molecular FormulaC23H22N2O6S
Molecular Weight454.50 g/mol
Exact Mass454.12
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H22N2O6S/c1-16(22(26)25-13-12-17-5-2-3-7-21(17)25)31-23(27)18-8-10-20(11-9-18)32(28,29)24-15-19-6-4-14-30-19/h2-11,14,16,24H,12-13,15H2,1H3
InChIKeyVBQTWEMFCQJXSO-UHFFFAOYSA-N
XLogP2.89
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2,3-dihydroindol-1-yl)-1-oxopropan-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
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834867
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 40843388
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7889723

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 4828945) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is CC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is VBQTWEMFCQJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6S/c1-16(22(26)25-13-12-17-5-2-3-7-21(17)25)31-23(27)18-8-10-20(11-9-18)32(28,29)24-15-19-6-4-14-30-19/h2-11,14,16,24H,12-13,15H2,1H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 454.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 4828945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).