methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate

C24H24N2O7S — CID 3573663

IUPACmethyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(=O)OC)cc2)cc1
InChIInChI=1S/C24H24N2O7S/c1-3-32-18-10-8-17(9-11-18)26-34(29,30)20-14-12-19(13-15-20)33-16-23(27)25-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27)
InChIKeySEQHGRGPSPTRDH-UHFFFAOYSA-N
MW484.53 g/mol
LogP3.69
Rot. Bonds10

About methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate

methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate (PubChem CID 3573663) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
PubChem CID3573663
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Namemethyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(=O)OC)cc2)cc1
InChIInChI=1S/C24H24N2O7S/c1-3-32-18-10-8-17(9-11-18)26-34(29,30)20-14-12-19(13-15-20)33-16-23(27)25-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27)
InChIKeySEQHGRGPSPTRDH-UHFFFAOYSA-N
XLogP3.69
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 126393709
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
N-(3-chloro-2-methylphenyl)-2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 3289227
methyl 2-[[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126150965
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 2226464
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 2228508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate (CID 3573663) is methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate?
The InChIKey is SEQHGRGPSPTRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7S/c1-3-32-18-10-8-17(9-11-18)26-34(29,30)20-14-12-19(13-15-20)33-16-23(27)25-22-7-5-4-6-21(22)24(28)31-2/h4-15,26H,3,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate?
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate has a molecular weight of 484.53 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 3573663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).