ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate

C18H21NO7S — CID 126118135

IUPACethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-13-5-8-15(9-6-13)27(21,22)19-16-11-14(23-2)7-10-17(16)24-3/h5-11,19H,4,12H2,1-3H3
InChIKeyCWAPYMGHLJNDCF-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.45
Rot. Bonds9

About ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate

ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate (PubChem CID 126118135) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
PubChem CID126118135
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Nameethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-13-5-8-15(9-6-13)27(21,22)19-16-11-14(23-2)7-10-17(16)24-3/h5-11,19H,4,12H2,1-3H3
InChIKeyCWAPYMGHLJNDCF-UHFFFAOYSA-N
XLogP2.45
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
methyl 2-[4-[(2-amino-4-methoxyphenyl)sulfamoyl]phenoxy]acetate
CID 51063876
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
N-(2,5-dimethoxyphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3941863
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate (CID 126118135) is ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate is CCOC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
The InChIKey is CWAPYMGHLJNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-13-5-8-15(9-6-13)27(21,22)19-16-11-14(23-2)7-10-17(16)24-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate?
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate has a molecular weight of 395.43 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 126118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).