N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide

C15H15N3O3S — CID 4280753

IUPACN'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
SMILESCC(=NOCC(=O)NNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-11(13-8-5-9-22-13)18-21-10-14(19)16-17-15(20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyOJZHZVDGGSWVBI-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.95
Rot. Bonds5

About N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide

N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide (PubChem CID 4280753) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
PubChem CID4280753
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
SMILESCC(=NOCC(=O)NNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-11(13-8-5-9-22-13)18-21-10-14(19)16-17-15(20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,19)(H,17,20)
InChIKeyOJZHZVDGGSWVBI-UHFFFAOYSA-N
XLogP1.95
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3348559
methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
CID 6375482
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
1-(4-benzhydrylpiperazin-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyethanone
CID 6381091
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6183388

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide?
The IUPAC name of N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide (CID 4280753) is N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide?
The canonical SMILES for N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide is CC(=NOCC(=O)NNC(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide?
The InChIKey is OJZHZVDGGSWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11(13-8-5-9-22-13)18-21-10-14(19)16-17-15(20)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide?
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide has a molecular weight of 317.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide is sourced from PubChem (CID 4280753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).