N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide

C20H24N2O3S — CID 55834680

IUPACN'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-15-7-5-6-8-18(15)25-13-19(23)21-22-20(24)16-9-11-17(12-10-16)26-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJHJQBYPRYDYIII-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.59
Rot. Bonds7

About N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide

N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide (PubChem CID 55834680) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide
PubChem CID55834680
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-15-7-5-6-8-18(15)25-13-19(23)21-22-20(24)16-9-11-17(12-10-16)26-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJHJQBYPRYDYIII-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.59
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

3,4,5-triethoxy-N'-(4-propan-2-ylsulfanylbenzoyl)benzohydrazide
CID 55834203
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 55549107
N-[(2S)-1-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 55944338
4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 18159261
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538543
2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108574553

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide (CID 55834680) is N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide is CCc1ccccc1OCC(=O)NNC(=O)c1ccc(SC(C)C)cc1.
What is the InChIKey of N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is JHJQBYPRYDYIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-15-7-5-6-8-18(15)25-13-19(23)21-22-20(24)16-9-11-17(12-10-16)26-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide?
N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 372.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethylphenoxy)acetyl]-4-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 55834680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).