3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate

C16H17NO6S — CID 45353023

IUPAC3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H17NO6S/c1-11(18)12(2)23-16(19)13-5-7-15(8-6-13)24(20,21)17-10-14-4-3-9-22-14/h3-9,12,17H,10H2,1-2H3
InChIKeyNPFBHZSRAPBMOE-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.89
Rot. Bonds7

About 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate

3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 45353023) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID45353023
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H17NO6S/c1-11(18)12(2)23-16(19)13-5-7-15(8-6-13)24(20,21)17-10-14-4-3-9-22-14/h3-9,12,17H,10H2,1-2H3
InChIKeyNPFBHZSRAPBMOE-UHFFFAOYSA-N
XLogP1.89
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[(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
[(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
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
[(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 41297262
methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16526889
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4828945
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526887
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 42969030

Frequently Asked Questions

What is the IUPAC name of 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 45353023) is 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate is CC(=O)C(C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is NPFBHZSRAPBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-11(18)12(2)23-16(19)13-5-7-15(8-6-13)24(20,21)17-10-14-4-3-9-22-14/h3-9,12,17H,10H2,1-2H3.
What are the key properties of 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate?
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 351.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 45353023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).