ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate

C14H19N3O5S — CID 5354737

IUPACethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O5S/c1-4-22-14(19)9-10(2)16-17-23(20,21)13-7-5-12(6-8-13)15-11(3)18/h5-8,17H,4,9H2,1-3H3,(H,15,18)/b16-10-
InChIKeyQPJCGCMZKJKNAV-YBEGLDIGSA-N
MW341.39 g/mol
LogP1.25
Rot. Bonds7

About ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate

ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate (PubChem CID 5354737) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate
PubChem CID5354737
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Nameethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O5S/c1-4-22-14(19)9-10(2)16-17-23(20,21)13-7-5-12(6-8-13)15-11(3)18/h5-8,17H,4,9H2,1-3H3,(H,15,18)/b16-10-
InChIKeyQPJCGCMZKJKNAV-YBEGLDIGSA-N
XLogP1.25
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]acetamide
CID 881463
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357
ethyl 3-[4-(tert-butylsulfamoyl)anilino]-3-oxopropanoate
CID 17097498
ethyl N-(4-acetamidophenyl)sulfonyl-N-methylcarbamate
CID 172776979
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
ethyl 4-acetamidobenzenesulfonate
CID 91726392
(3Z)-3-[(4-tert-butylphenyl)sulfonylhydrazinylidene]-N-(4-chlorophenyl)butanamide
CID 7241806
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5118044
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate?
The IUPAC name of ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate (CID 5354737) is ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate?
The canonical SMILES for ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate is CCOC(=O)C/C(C)=N\NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate?
The InChIKey is QPJCGCMZKJKNAV-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-4-22-14(19)9-10(2)16-17-23(20,21)13-7-5-12(6-8-13)15-11(3)18/h5-8,17H,4,9H2,1-3H3,(H,15,18)/b16-10-.
What are the key properties of ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate?
ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate has a molecular weight of 341.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[(4-acetamidophenyl)sulfonylhydrazinylidene]butanoate is sourced from PubChem (CID 5354737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).