(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide

C22H21N3O5S — CID 155561027

IUPAC(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c23-31(28,29)20-12-8-18(9-13-20)24-22(27)21(14-16-6-10-19(26)11-7-16)25-30-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,24,27)(H2,23,28,29)/b25-21+
InChIKeyCXSJGTQCIOGSOV-NJNXFGOHSA-N
MW439.49 g/mol
LogP2.79
Rot. Bonds8

About (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide

(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155561027) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
PubChem CID155561027
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c23-31(28,29)20-12-8-18(9-13-20)24-22(27)21(14-16-6-10-19(26)11-7-16)25-30-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,24,27)(H2,23,28,29)/b25-21+
InChIKeyCXSJGTQCIOGSOV-NJNXFGOHSA-N
XLogP2.79
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (CID 155561027) is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is CXSJGTQCIOGSOV-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H21N3O5S/c23-31(28,29)20-12-8-18(9-13-20)24-22(27)21(14-16-6-10-19(26)11-7-16)25-30-15-17-4-2-1-3-5-17/h1-13,26H,14-15H2,(H,24,27)(H2,23,28,29)/b25-21+.
What are the key properties of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 439.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155561027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).