ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate

C15H20N4O4S — CID 21236975

IUPACethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C15H20N4O4S/c1-4-19(5-2)24(21,22)13-9-7-12(8-10-13)17-18-14(11-16)15(20)23-6-3/h7-10,17H,4-6H2,1-3H3/b18-14+
InChIKeyBMTBQFNLABQSOQ-NBVRZTHBSA-N
MW352.42 g/mol
LogP1.57
Rot. Bonds8

About ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate

ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate (PubChem CID 21236975) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate
PubChem CID21236975
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Nameethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C15H20N4O4S/c1-4-19(5-2)24(21,22)13-9-7-12(8-10-13)17-18-14(11-16)15(20)23-6-3/h7-10,17H,4-6H2,1-3H3/b18-14+
InChIKeyBMTBQFNLABQSOQ-NBVRZTHBSA-N
XLogP1.57
TPSA111.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', '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

ethyl (2E)-2-[(4-acetylphenyl)hydrazinylidene]-2-cyanoacetate
CID 7633287
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
ethyl (2Z)-2-cyano-2-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]hydrazinylidene]acetate
CID 6285525
methyl (Z)-2-cyano-3-[4-(diethylsulfamoyl)anilino]prop-2-enoate
CID 19629006
ethyl (2E)-2-cyano-2-[(2-methoxy-5-methylphenyl)hydrazinylidene]acetate
CID 6895831
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
methyl (2E)-2-cyano-2-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinylidene]acetate
CID 6374240
ethyl 2-cyano-2-[[3-(phenylcarbamoyl)phenyl]hydrazinylidene]acetate
CID 4597712
phenacyl (2E)-2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 134918387
ethyl (2Z)-2-cyano-2-[(2,4,6-tribromophenyl)hydrazinylidene]acetate
CID 5430384
ethyl 2-cyano-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetate
CID 23275272
diethyl 2-[(2E)-2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-1-phenylethylidene]propanedioate
CID 134868912

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate (CID 21236975) is ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate is CCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate?
The InChIKey is BMTBQFNLABQSOQ-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-4-19(5-2)24(21,22)13-9-7-12(8-10-13)17-18-14(11-16)15(20)23-6-3/h7-10,17H,4-6H2,1-3H3/b18-14+.
What are the key properties of ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate?
ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate has a molecular weight of 352.42 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-cyano-2-[[4-(diethylsulfamoyl)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 21236975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).