N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

C16H17N3O4S — CID 135455089

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O4S/c1-12-6-8-14(9-7-12)24(22,23)18-11-16(21)19-17-10-13-4-2-3-5-15(13)20/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+
InChIKeyXJVKBLIQFJUWHM-LICLKQGHSA-N
MW347.40 g/mol
LogP1.13
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 135455089) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
PubChem CID135455089
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O4S/c1-12-6-8-14(9-7-12)24(22,23)18-11-16(21)19-17-10-13-4-2-3-5-15(13)20/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+
InChIKeyXJVKBLIQFJUWHM-LICLKQGHSA-N
XLogP1.13
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.13
H-Bond Donors ≤ 53
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

(Z)-N'-(1-(3-hydroxyphenyl)ethylidene)-2-(4-tosylpiperazin-1-yl)acetohydrazide
CID 5915352
N'-(2-hydroxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 135412016
Benzenesulfonic acid 4-(propionyl-hydrazonomethyl)-phenyl ester
CID 9594450
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)sulfanyl]propanehydrazide
CID 135521601
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide
CID 6083747
N-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]-2-[(phenylsulfonyl)amino]acetamide
CID 45923777
N-({N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
CID 135400496
4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide
CID 135871342
4-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
CID 145954571
N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]-2-[4-[(4-sulfamoylphenyl)methyl]piperazin-1-yl]acetamide
CID 136510230

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide (CID 135455089) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is XJVKBLIQFJUWHM-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-12-6-8-14(9-7-12)24(22,23)18-11-16(21)19-17-10-13-4-2-3-5-15(13)20/h2-10,18,20H,11H2,1H3,(H,19,21)/b17-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 135455089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).