ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate

C18H21NO7S — CID 46547637

IUPACethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-15-7-5-6-13(10-15)19-27(21,22)17-11-14(23-2)8-9-16(17)24-3/h5-11,19H,4,12H2,1-3H3
InChIKeyZSRZNQKILLKHEZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.45
Rot. Bonds9

About ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate

ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate (PubChem CID 46547637) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
PubChem CID46547637
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Nameethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-15-7-5-6-13(10-15)19-27(21,22)17-11-14(23-2)8-9-16(17)24-3/h5-11,19H,4,12H2,1-3H3
InChIKeyZSRZNQKILLKHEZ-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

2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
CID 39340829
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
CID 173316311
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate (CID 46547637) is ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate is CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(OC)ccc2OC)c1.
What is the InChIKey of ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate?
The InChIKey is ZSRZNQKILLKHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-4-25-18(20)12-26-15-7-5-6-13(10-15)19-27(21,22)17-11-14(23-2)8-9-16(17)24-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate?
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]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-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate is sourced from PubChem (CID 46547637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).