N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide

C17H19N3O4S — CID 135519931

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide
SMILESC/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1O
InChIInChI=1S/C17H19N3O4S/c1-13(15-10-6-7-11-16(15)21)18-19-17(22)12-20(25(2,23)24)14-8-4-3-5-9-14/h3-11,21H,12H2,1-2H3,(H,19,22)/b18-13+
InChIKeyCAWJVIUCVHQNOI-QGOAFFKASA-N
MW361.42 g/mol
LogP1.70
Rot. Bonds6

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 135519931) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide
PubChem CID135519931
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide
SMILESC/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1O
InChIInChI=1S/C17H19N3O4S/c1-13(15-10-6-7-11-16(15)21)18-19-17(22)12-20(25(2,23)24)14-8-4-3-5-9-14/h3-11,21H,12H2,1-2H3,(H,19,22)/b18-13+
InChIKeyCAWJVIUCVHQNOI-QGOAFFKASA-N
XLogP1.70
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N-(2-{2-[1-(2-hydroxyphenyl)ethylidene]hydrazino}-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 135470730
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
N-({N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)-N-(4-methylphenyl)benzenesulfonamide
CID 135515655
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
N''-(1-(2-hydroxyphenyl)ethylidene)-2-(N-phenylphenylsulfonamido)acetohydrazide
CID 135613341
2-(N-(3-chlorophenyl)phenylsulfonamido)-N''-(1-(2-hydroxyphenyl)ethylidene)acetohydrazide
CID 135644174
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide (CID 135519931) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide is C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is CAWJVIUCVHQNOI-QGOAFFKASA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13(15-10-6-7-11-16(15)21)18-19-17(22)12-20(25(2,23)24)14-8-4-3-5-9-14/h3-11,21H,12H2,1-2H3,(H,19,22)/b18-13+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 135519931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).