ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate

C18H21NO6S — CID 126143243

IUPACethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C18H21NO6S/c1-3-23-17-8-6-5-7-16(17)19-26(21,22)15-11-9-14(10-12-15)25-13-18(20)24-4-2/h5-12,19H,3-4,13H2,1-2H3
InChIKeyVRHGZOLWRQYHJF-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.83
Rot. Bonds9

About ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate

ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 126143243) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
PubChem CID126143243
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Nameethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C18H21NO6S/c1-3-23-17-8-6-5-7-16(17)19-26(21,22)15-11-9-14(10-12-15)25-13-18(20)24-4-2/h5-12,19H,3-4,13H2,1-2H3
InChIKeyVRHGZOLWRQYHJF-UHFFFAOYSA-N
XLogP2.83
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-(2-ethoxyphenyl)-2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3968291
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7951667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate (CID 126143243) is ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is VRHGZOLWRQYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-3-23-17-8-6-5-7-16(17)19-26(21,22)15-11-9-14(10-12-15)25-13-18(20)24-4-2/h5-12,19H,3-4,13H2,1-2H3.
What are the key properties of ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate?
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 379.43 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 126143243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).