[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate

C20H19NO6S — CID 55730810

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2Oc2ccccc2)o1
InChIInChI=1S/C20H19NO6S/c1-21(2)28(23,24)19-13-12-16(27-19)14-25-20(22)17-10-6-7-11-18(17)26-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyAUEBLBJBWOGYKU-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.68
Rot. Bonds7

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate (PubChem CID 55730810) has the molecular formula C20H19NO6S and a molecular weight of 401.44 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
PubChem CID55730810
Molecular FormulaC20H19NO6S
Molecular Weight401.44 g/mol
Exact Mass401.09
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2Oc2ccccc2)o1
InChIInChI=1S/C20H19NO6S/c1-21(2)28(23,24)19-13-12-16(27-19)14-25-20(22)17-10-6-7-11-18(17)26-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyAUEBLBJBWOGYKU-UHFFFAOYSA-N
XLogP3.68
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2,4-dimethoxybenzoate
CID 55730705
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-chloro-4,5-difluorobenzoate
CID 55733852
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-methyl-1-benzofuran-2-carboxylate
CID 55730273
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(dimethylamino)benzoate
CID 55730706
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 55733885
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 55730450
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-nitrofuran-2-carboxylate
CID 55730432
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-bromo-5-methoxy-4-propoxybenzoate
CID 55730566
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenoxybenzamide
CID 2481385

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate (CID 55730810) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccccc2Oc2ccccc2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate?
The InChIKey is AUEBLBJBWOGYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6S/c1-21(2)28(23,24)19-13-12-16(27-19)14-25-20(22)17-10-6-7-11-18(17)26-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate has a molecular weight of 401.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-phenoxybenzoate is sourced from PubChem (CID 55730810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).