2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide

C17H24N6O4S — CID 51961196

IUPAC2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C17H24N6O4S/c1-4-23(5-2)28(25,26)15-8-6-14(7-9-15)20-16(24)12-27-21-17(18)13-10-19-22(3)11-13/h6-11H,4-5,12H2,1-3H3,(H2,18,21)(H,20,24)
InChIKeyWRONEZSBCFMLDF-UHFFFAOYSA-N
MW408.48 g/mol
LogP0.73
Rot. Bonds9

About 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 51961196) has the molecular formula C17H24N6O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID51961196
Molecular FormulaC17H24N6O4S
Molecular Weight408.48 g/mol
Exact Mass408.16
IUPAC Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C17H24N6O4S/c1-4-23(5-2)28(25,26)15-8-6-14(7-9-15)20-16(24)12-27-21-17(18)13-10-19-22(3)11-13/h6-11H,4-5,12H2,1-3H3,(H2,18,21)(H,20,24)
InChIKeyWRONEZSBCFMLDF-UHFFFAOYSA-N
XLogP0.73
TPSA131.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60524992
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 60525175
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2346813
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
CID 2125015
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55324279
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 51961196) is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1.
What is the InChIKey of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is WRONEZSBCFMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O4S/c1-4-23(5-2)28(25,26)15-8-6-14(7-9-15)20-16(24)12-27-21-17(18)13-10-19-22(3)11-13/h6-11H,4-5,12H2,1-3H3,(H2,18,21)(H,20,24).
What are the key properties of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 51961196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).