N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide

C17H16N2O4S — CID 2606684

IUPACN'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-16(18-19-17(21)12-4-2-1-3-5-12)11-24-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyXITHJFUFJVFOLU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.01
Rot. Bonds4

About N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide (PubChem CID 2606684) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
PubChem CID2606684
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC NameN'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S/c20-16(18-19-17(21)12-4-2-1-3-5-12)11-24-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyXITHJFUFJVFOLU-UHFFFAOYSA-N
XLogP2.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.01
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

2-chloro-N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide
CID 4805905
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 7907286
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 55370068
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7809043
1-(4-benzoylpiperazin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanone
CID 17428503
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(1,1-diphenylethyl)acetamide
CID 56522785
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-2-phenylacetamide
CID 51308725
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
CID 17454038
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(methylcarbamoyl)acetamide
CID 7457809
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17399471

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide (CID 2606684) is N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide is O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide?
The InChIKey is XITHJFUFJVFOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-16(18-19-17(21)12-4-2-1-3-5-12)11-24-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide?
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide has a molecular weight of 344.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 2606684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).