3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C25H28N2O5S — CID 24517219

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCOc3cccc(C)c3)c2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-13-11-21(12-14-22)26-33(29,30)24-10-6-8-20(18-24)25(28)27(3)15-16-32-23-9-5-7-19(2)17-23/h5-14,17-18,26H,4,15-16H2,1-3H3
InChIKeyGXPMWGUZESCTQJ-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.35
Rot. Bonds10

About 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 24517219) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID24517219
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCOc3cccc(C)c3)c2)cc1
InChIInChI=1S/C25H28N2O5S/c1-4-31-22-13-11-21(12-14-22)26-33(29,30)24-10-6-8-20(18-24)25(28)27(3)15-16-32-23-9-5-7-19(2)17-23/h5-14,17-18,26H,4,15-16H2,1-3H3
InChIKeyGXPMWGUZESCTQJ-UHFFFAOYSA-N
XLogP4.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
N-[2-(tert-butylamino)-2-oxoethyl]-3-[(4-ethoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24515644
4-ethoxy-N-[4-[[3-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzenesulfonamide
CID 26774579
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 24517219) is 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)CCOc3cccc(C)c3)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is GXPMWGUZESCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-31-22-13-11-21(12-14-22)26-33(29,30)24-10-6-8-20(18-24)25(28)27(3)15-16-32-23-9-5-7-19(2)17-23/h5-14,17-18,26H,4,15-16H2,1-3H3.
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 24517219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).