2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

C22H20N4O5S — CID 55985794

IUPAC2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CNc2ccc(C#N)cc2)c1
InChIInChI=1S/C22H20N4O5S/c1-31-21-5-3-2-4-18(21)26-32(29,30)17-10-11-20(27)19(12-17)25-22(28)14-24-16-8-6-15(13-23)7-9-16/h2-12,24,26-27H,14H2,1H3,(H,25,28)
InChIKeyYSXIZJIYYNERKF-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.12
Rot. Bonds8

About 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide

2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 55985794) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID55985794
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CNc2ccc(C#N)cc2)c1
InChIInChI=1S/C22H20N4O5S/c1-31-21-5-3-2-4-18(21)26-32(29,30)17-10-11-20(27)19(12-17)25-22(28)14-24-16-8-6-15(13-23)7-9-16/h2-12,24,26-27H,14H2,1H3,(H,25,28)
InChIKeyYSXIZJIYYNERKF-UHFFFAOYSA-N
XLogP3.12
TPSA140.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
4-(4-ethoxyphenyl)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 24564644
2-(2-butan-2-ylphenoxy)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43052028
2-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43018799
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55629222
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 24588243
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 4963340
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
CID 24635935
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
4-(dimethylamino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 35994119

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 55985794) is 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)CNc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YSXIZJIYYNERKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c1-31-21-5-3-2-4-18(21)26-32(29,30)17-10-11-20(27)19(12-17)25-22(28)14-24-16-8-6-15(13-23)7-9-16/h2-12,24,26-27H,14H2,1H3,(H,25,28).
What are the key properties of 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide?
2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55985794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).