ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate

C15H17NO6S — CID 893527

IUPACethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h3-9,16H,2,10-11H2,1H3
InChIKeyAZEJGBIKYDXZPQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.70
Rot. Bonds8

About ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate

ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (PubChem CID 893527) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
PubChem CID893527
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Nameethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h3-9,16H,2,10-11H2,1H3
InChIKeyAZEJGBIKYDXZPQ-UHFFFAOYSA-N
XLogP1.70
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Amino-2-oxoethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401241
Methyl 5-{[(2-furylmethyl)amino]sulfonyl}-2-furoate
CID 2743003
(2E)-3-(4-{[(furan-2-yl)methyl]sulfamoyl}phenyl)prop-2-enoic acid
CID 779298
(Benzenesulfonyl-furan-2-ylmethyl-amino)-acetic acid methyl ester
CID 650377
Methyl (4-{[(2-furylmethyl)amino]sulfonyl}phenoxy)acetate
CID 893294
2-[4-(diethylsulfamoyl)phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 2319505
Methyl 2-[(3,4-dimethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 44322650
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 60510088
[(4-Ethoxyphenyl)sulfonyl](2-furylmethyl)amine
CID 741466
2-Oxo-2-phenylethyl 4-{[(furan-2-yl)methyl]sulfamoyl}benzoate
CID 1539833
3-(2-Furyl)-3-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acid
CID 4259968
2-(4-sec-Butylsulfamoyl-phenoxy)-N-furan-2-ylmethyl-acetamide
CID 648968

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate (CID 893527) is ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
The InChIKey is AZEJGBIKYDXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c1-2-20-15(17)11-22-12-5-7-14(8-6-12)23(18,19)16-10-13-4-3-9-21-13/h3-9,16H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate?
ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate has a molecular weight of 339.37 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(furan-2-ylmethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 893527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).