N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

C14H13BrN2O2S — CID 5452515

IUPACN-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)Nc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H13BrN2O2S/c1-10(13-3-2-8-20-13)17-19-9-14(18)16-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,16,18)/b17-10+
InChIKeyJGVRJLLEWGOITA-LICLKQGHSA-N
MW353.24 g/mol
LogP3.89
Rot. Bonds5

About N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 5452515) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID5452515
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)Nc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H13BrN2O2S/c1-10(13-3-2-8-20-13)17-19-9-14(18)16-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,16,18)/b17-10+
InChIKeyJGVRJLLEWGOITA-LICLKQGHSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
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-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3841241
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
CID 6375482
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3348559

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 5452515) is N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is C/C(=N\OCC(=O)Nc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is JGVRJLLEWGOITA-LICLKQGHSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-10(13-3-2-8-20-13)17-19-9-14(18)16-12-6-4-11(15)5-7-12/h2-8H,9H2,1H3,(H,16,18)/b17-10+.
What are the key properties of N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 353.24 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 5452515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).