N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide

C20H24N2O3S — CID 78771952

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C20H24N2O3S/c1-13(2)26-18-8-6-5-7-17(18)20(24)22-21-19(23)12-25-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAUPTVYMBCLGSBR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.64
Rot. Bonds6

About N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide (PubChem CID 78771952) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
PubChem CID78771952
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2SC(C)C)c1
InChIInChI=1S/C20H24N2O3S/c1-13(2)26-18-8-6-5-7-17(18)20(24)22-21-19(23)12-25-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAUPTVYMBCLGSBR-UHFFFAOYSA-N
XLogP3.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.64
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

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
CID 1372554
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
N'-(2-chlorobenzoyl)-2-propan-2-ylsulfanylbenzohydrazide
CID 51148209
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
CID 36855293
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 134060211
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 30706652

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide (CID 78771952) is N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2SC(C)C)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide?
The InChIKey is AUPTVYMBCLGSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13(2)26-18-8-6-5-7-17(18)20(24)22-21-19(23)12-25-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide has a molecular weight of 372.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide is sourced from PubChem (CID 78771952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).