[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate

C19H23NO7S — CID 55730623

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(OCC3CCCO3)cc2)o1
InChIInChI=1S/C19H23NO7S/c1-20(2)28(22,23)18-10-9-17(27-18)13-26-19(21)14-5-7-15(8-6-14)25-12-16-4-3-11-24-16/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeyZZEUMKWSZKIMFR-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.44
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate (PubChem CID 55730623) has the molecular formula C19H23NO7S and a molecular weight of 409.46 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
PubChem CID55730623
Molecular FormulaC19H23NO7S
Molecular Weight409.46 g/mol
Exact Mass409.12
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(OCC3CCCO3)cc2)o1
InChIInChI=1S/C19H23NO7S/c1-20(2)28(22,23)18-10-9-17(27-18)13-26-19(21)14-5-7-15(8-6-14)25-12-16-4-3-11-24-16/h5-10,16H,3-4,11-13H2,1-2H3
InChIKeyZZEUMKWSZKIMFR-UHFFFAOYSA-N
XLogP2.44
TPSA95.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate with MolForge

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Related Compounds

[(2R)-oxolan-2-yl]methyl 4-(dimethylsulfamoyl)benzoate
CID 2375035
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
N-cyclohexyl-4-[[5-(dimethylsulfamoyl)furan-2-yl]methoxy]benzamide
CID 45494835
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
[2-(1-adamantyl)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 4651860
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 26057843
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 40576001

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate (CID 55730623) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(OCC3CCCO3)cc2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate?
The InChIKey is ZZEUMKWSZKIMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7S/c1-20(2)28(22,23)18-10-9-17(27-18)13-26-19(21)14-5-7-15(8-6-14)25-12-16-4-3-11-24-16/h5-10,16H,3-4,11-13H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate has a molecular weight of 409.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate is sourced from PubChem (CID 55730623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).