methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate

C18H21NO6S — CID 31763548

IUPACmethyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)CCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO6S/c1-19(11-12-25-16-9-7-15(23-2)8-10-16)26(21,22)17-6-4-5-14(13-17)18(20)24-3/h4-10,13H,11-12H2,1-3H3
InChIKeyKMYJZKSNKDKTOP-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.18
Rot. Bonds8

About methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate

methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate (PubChem CID 31763548) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
PubChem CID31763548
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Namemethyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)CCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21NO6S/c1-19(11-12-25-16-9-7-15(23-2)8-10-16)26(21,22)17-6-4-5-14(13-17)18(20)24-3/h4-10,13H,11-12H2,1-3H3
InChIKeyKMYJZKSNKDKTOP-UHFFFAOYSA-N
XLogP2.18
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 39795004
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
N-[2-methoxy-5-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 8800569
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
methyl 3-[bromo(ethyl)sulfamoyl]benzoate
CID 155615787
(4-methoxycarbonylphenyl) 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 8961302
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
2-(4-ethoxyphenoxy)ethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753630

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate (CID 31763548) is methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)CCOc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate?
The InChIKey is KMYJZKSNKDKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-19(11-12-25-16-9-7-15(23-2)8-10-16)26(21,22)17-6-4-5-14(13-17)18(20)24-3/h4-10,13H,11-12H2,1-3H3.
What are the key properties of methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate?
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate has a molecular weight of 379.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate is sourced from PubChem (CID 31763548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).