2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide

C18H22N2O5S — CID 55353301

IUPAC2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-24-15-7-9-16(10-8-15)25-14(3)18(21)19-20-26(22,23)17-11-5-13(2)6-12-17/h5-12,14,20H,4H2,1-3H3,(H,19,21)
InChIKeyWXTOWAZOFRXTKX-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.17
Rot. Bonds8

About 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide

2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 55353301) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID55353301
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O5S/c1-4-24-15-7-9-16(10-8-15)25-14(3)18(21)19-20-26(22,23)17-11-5-13(2)6-12-17/h5-12,14,20H,4H2,1-3H3,(H,19,21)
InChIKeyWXTOWAZOFRXTKX-UHFFFAOYSA-N
XLogP2.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethoxyphenoxy)-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]propanehydrazide
CID 9056044
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-ethoxyphenoxy)propanehydrazide
CID 55353346
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
(2S)-2-(4-ethoxyphenoxy)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]propanehydrazide
CID 9343640
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
4-tert-butyl-N-[3-[2-[2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55346398
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
2-(2,4-dimethylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]propanamide
CID 17108697
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 8634007
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925423

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide (CID 55353301) is 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide is CCOc1ccc(OC(C)C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is WXTOWAZOFRXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-24-15-7-9-16(10-8-15)25-14(3)18(21)19-20-26(22,23)17-11-5-13(2)6-12-17/h5-12,14,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide?
2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 378.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N'-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 55353301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).