methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate

C19H20N2O6S — CID 17234061

IUPACmethyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-18(22)12-27-14-8-10-15(11-9-14)28(24,25)21-17-5-3-2-4-16(17)19(23)20-13-6-7-13/h2-5,8-11,13,21H,6-7,12H2,1H3,(H,20,23)
InChIKeyOJYYMUGXIPGGMF-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.93
Rot. Bonds8

About methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate

methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate (PubChem CID 17234061) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
PubChem CID17234061
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Namemethyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O6S/c1-26-18(22)12-27-14-8-10-15(11-9-14)28(24,25)21-17-5-3-2-4-16(17)19(23)20-13-6-7-13/h2-5,8-11,13,21H,6-7,12H2,1H3,(H,20,23)
InChIKeyOJYYMUGXIPGGMF-UHFFFAOYSA-N
XLogP1.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 17496883
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N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
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CID 40616539
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 122071165
N-cyclopropyl-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 26906049
N-cyclohexyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 1226844
[4-[[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 10225728
2-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1327378

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate (CID 17234061) is methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)cc1.
What is the InChIKey of methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate?
The InChIKey is OJYYMUGXIPGGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-18(22)12-27-14-8-10-15(11-9-14)28(24,25)21-17-5-3-2-4-16(17)19(23)20-13-6-7-13/h2-5,8-11,13,21H,6-7,12H2,1H3,(H,20,23).
What are the key properties of methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate?
methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate has a molecular weight of 404.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(cyclopropylcarbamoyl)phenyl]sulfamoyl]phenoxy]acetate is sourced from PubChem (CID 17234061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).