2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

C24H23N3O5S — CID 26852031

IUPAC2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-3-31-21-12-8-19(9-13-21)27-33(29,30)23-14-20(7-4-17(23)2)26-24(28)16-32-22-10-5-18(15-25)6-11-22/h4-14,27H,3,16H2,1-2H3,(H,26,28)
InChIKeyZGBMXKNKTZDWJT-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.08
Rot. Bonds9

About 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 26852031) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
PubChem CID26852031
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-3-31-21-12-8-19(9-13-21)27-33(29,30)23-14-20(7-4-17(23)2)26-24(28)16-32-22-10-5-18(15-25)6-11-22/h4-14,27H,3,16H2,1-2H3,(H,26,28)
InChIKeyZGBMXKNKTZDWJT-UHFFFAOYSA-N
XLogP4.08
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
(E)-3-(4-cyanophenyl)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]prop-2-enamide
CID 26852058
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbut-2-enamide
CID 30877349
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 76870673
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylanilino]-3-oxopropyl]-3-methylbenzamide
CID 26852039
2-cyano-N-[4-methyl-3-[(4-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 168523034
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide (CID 26852031) is 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2C)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is ZGBMXKNKTZDWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-3-31-21-12-8-19(9-13-21)27-33(29,30)23-14-20(7-4-17(23)2)26-24(28)16-32-22-10-5-18(15-25)6-11-22/h4-14,27H,3,16H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide?
2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 465.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 26852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).