N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C25H28N4O5S — CID 135521434

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1
InChIInChI=1S/C25H28N4O5S/c1-4-29(5-2)20-14-13-19(23(30)16-20)17-26-27-25(31)18-9-8-10-21(15-18)35(32,33)28-22-11-6-7-12-24(22)34-3/h6-17,28,30H,4-5H2,1-3H3,(H,27,31)/b26-17+
InChIKeySWEUKFQMZLSQHS-YZSQISJMSA-N
MW496.59 g/mol
LogP3.81
Rot. Bonds10

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 135521434) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID135521434
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1
InChIInChI=1S/C25H28N4O5S/c1-4-29(5-2)20-14-13-19(23(30)16-20)17-26-27-25(31)18-9-8-10-21(15-18)35(32,33)28-22-11-6-7-12-24(22)34-3/h6-17,28,30H,4-5H2,1-3H3,(H,27,31)/b26-17+
InChIKeySWEUKFQMZLSQHS-YZSQISJMSA-N
XLogP3.81
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-methoxyphenyl)sulfamoyl]-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6900331
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 6900381
N-(4-{[(2E)-2-(2-methoxybenzylidene)hydrazino]carbonyl}phenyl)-N-methylbenzenesulfonamide
CID 21212184
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-sulfamoylbenzamide
CID 168295334
2-{(E)-[2-({(2-methoxyphenyl)[(4-methoxyphenyl)sulfonyl]amino}acetyl)hydrazinylidene]methyl}benzoic acid (non-preferred name)
CID 6891043
4-({2-[(2-Methoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetyl}-hydrazonomethyl)-benzoic acid
CID 6889634
N-[(E)-(4-acetamidophenyl)methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 6903928
N-(2-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-2-oxoethyl)-4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 135399808
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
4-[[[2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 1993799
2-[[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 2043580

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 135521434) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is SWEUKFQMZLSQHS-YZSQISJMSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-4-29(5-2)20-14-13-19(23(30)16-20)17-26-27-25(31)18-9-8-10-21(15-18)35(32,33)28-22-11-6-7-12-24(22)34-3/h6-17,28,30H,4-5H2,1-3H3,(H,27,31)/b26-17+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 496.59 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 135521434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).