2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide

C17H20N2O4S — CID 3374893

IUPAC2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-14-6-8-15(9-7-14)23-12-17(20)18-19-24(21,22)16-10-4-13(2)5-11-16/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyIHEANCKHYIFWJM-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.95
Rot. Bonds7

About 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide

2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 3374893) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID3374893
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-14-6-8-15(9-7-14)23-12-17(20)18-19-24(21,22)16-10-4-13(2)5-11-16/h4-11,19H,3,12H2,1-2H3,(H,18,20)
InChIKeyIHEANCKHYIFWJM-UHFFFAOYSA-N
XLogP1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
CID 8614803
N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 3374896
2-(2-chloro-5-methylphenoxy)-N'-(4-ethoxyphenyl)sulfonylacetohydrazide
CID 9244388
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide (CID 3374893) is 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide is CCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is IHEANCKHYIFWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-14-6-8-15(9-7-14)23-12-17(20)18-19-24(21,22)16-10-4-13(2)5-11-16/h4-11,19H,3,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide?
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 348.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 3374893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).