N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25N3O5S — CID 135614387

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O5S/c1-17-12-14-19(15-13-17)33(30,31)27(21-9-5-7-11-23(21)32-3)16-24(29)26-25-18(2)20-8-4-6-10-22(20)28/h4-15,28H,16H2,1-3H3,(H,26,29)/b25-18+
InChIKeyTXNAQDMOSHXNBA-XIEYBQDHSA-N
MW467.55 g/mol
LogP3.44
Rot. Bonds8

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 135614387) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID135614387
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O5S/c1-17-12-14-19(15-13-17)33(30,31)27(21-9-5-7-11-23(21)32-3)16-24(29)26-25-18(2)20-8-4-6-10-22(20)28/h4-15,28H,16H2,1-3H3,(H,26,29)/b25-18+
InChIKeyTXNAQDMOSHXNBA-XIEYBQDHSA-N
XLogP3.44
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide 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

4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
CID 135475964
N-{3-[(1E)-1-({2-[N-(4-Ethoxyphenyl)benzenesulfonamido]acetamido}imino)ethyl]phenyl}acetamide
CID 9597341
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341
2-(N-(3-chlorophenyl)phenylsulfonamido)-N''-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
CID 135644174
2-[N-(2-Methoxyphenyl)4-methylbenzenesulfonamido]-N-phenylacetamide
CID 1318518
N-(2-Ethylphenyl)-2-[N-(2-methoxyphenyl)4-methylbenzenesulfonamido]acetamide
CID 1334148
2-{(E)-[2-({(2-methoxyphenyl)[(4-methoxyphenyl)sulfonyl]amino}acetyl)hydrazinylidene]methyl}benzoic acid (non-preferred name)
CID 6891043
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 749146
N-(4-Methoxyphenyl)-N-({N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
CID 5334747
N-(4-Methoxyphenyl)-4-methyl-N-({N'-[(2E)-4-phenylbutan-2-ylidene]hydrazinecarbonyl}methyl)benzene-1-sulfonamide
CID 5757291

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 135614387) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is TXNAQDMOSHXNBA-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17-12-14-19(15-13-17)33(30,31)27(21-9-5-7-11-23(21)32-3)16-24(29)26-25-18(2)20-8-4-6-10-22(20)28/h4-15,28H,16H2,1-3H3,(H,26,29)/b25-18+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 135614387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).