4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide

C21H26N2O4S — CID 26311228

IUPAC4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-26-18-7-4-5-8-19(18)27-14-6-9-20(24)22-23-21(25)15-28-17-12-10-16(2)11-13-17/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCNFCCUYMXGZSGU-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.49
Rot. Bonds10

About 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide

4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide (PubChem CID 26311228) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
PubChem CID26311228
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-26-18-7-4-5-8-19(18)27-14-6-9-20(24)22-23-21(25)15-28-17-12-10-16(2)11-13-17/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCNFCCUYMXGZSGU-UHFFFAOYSA-N
XLogP3.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
3-(3-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 9418079
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N'-[4-(2-ethoxyphenoxy)butanoyl]cyclohexanecarbohydrazide
CID 9327136
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863
N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 5429358

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide (CID 26311228) is 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide is CCOc1ccccc1OCCCC(=O)NNC(=O)CSc1ccc(C)cc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide?
The InChIKey is CNFCCUYMXGZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-26-18-7-4-5-8-19(18)27-14-6-9-20(24)22-23-21(25)15-28-17-12-10-16(2)11-13-17/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide?
4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide has a molecular weight of 402.52 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]butanehydrazide is sourced from PubChem (CID 26311228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).