methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate

C19H22N2O7S — CID 55791528

IUPACmethyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-11-7-14(29(20,24)25)9-15(12(11)2)21-19(23)13-5-6-16(17(8-13)26-3)28-10-18(22)27-4/h5-9H,10H2,1-4H3,(H,21,23)(H2,20,24,25)
InChIKeyDZUIOUFMKAMSGZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP1.76
Rot. Bonds7

About methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate (PubChem CID 55791528) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
PubChem CID55791528
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Namemethyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OC
InChIInChI=1S/C19H22N2O7S/c1-11-7-14(29(20,24)25)9-15(12(11)2)21-19(23)13-5-6-16(17(8-13)26-3)28-10-18(22)27-4/h5-9H,10H2,1-4H3,(H,21,23)(H2,20,24,25)
InChIKeyDZUIOUFMKAMSGZ-UHFFFAOYSA-N
XLogP1.76
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,5-dimethoxybenzamide
CID 9141653
methyl 2-[4-[(4-iodophenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55771551
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9141418
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9257612
2-(2-cyanophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141494
methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
CID 55824099
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate (CID 55791528) is methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OC.
What is the InChIKey of methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate?
The InChIKey is DZUIOUFMKAMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-11-7-14(29(20,24)25)9-15(12(11)2)21-19(23)13-5-6-16(17(8-13)26-3)28-10-18(22)27-4/h5-9H,10H2,1-4H3,(H,21,23)(H2,20,24,25).
What are the key properties of methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate has a molecular weight of 422.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 55791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).