N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide

C14H20N2O4S — CID 55684408

IUPACN'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C(C)SC
InChIInChI=1S/C14H20N2O4S/c1-4-19-11-7-5-6-8-12(11)20-9-13(17)15-16-14(18)10(2)21-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJMBZZRCOBMCYOM-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.36
Rot. Bonds7

About N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide

N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide (PubChem CID 55684408) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide
PubChem CID55684408
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)C(C)SC
InChIInChI=1S/C14H20N2O4S/c1-4-19-11-7-5-6-8-12(11)20-9-13(17)15-16-14(18)10(2)21-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyJMBZZRCOBMCYOM-UHFFFAOYSA-N
XLogP1.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-2-ethylbutanehydrazide
CID 78775327
benzyl N-[(2S)-1-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55944322
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
2-(2-ethoxyphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 24581463
2-(2-ethoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050837
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide?
The IUPAC name of N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide (CID 55684408) is N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide.
What is the SMILES notation for N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide?
The canonical SMILES for N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide is CCOc1ccccc1OCC(=O)NNC(=O)C(C)SC.
What is the InChIKey of N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide?
The InChIKey is JMBZZRCOBMCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-19-11-7-5-6-8-12(11)20-9-13(17)15-16-14(18)10(2)21-3/h5-8,10H,4,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide?
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide has a molecular weight of 312.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethoxyphenoxy)acetyl]-2-methylsulfanylpropanehydrazide is sourced from PubChem (CID 55684408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).