2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide

C13H18BrN3O2S — CID 87024134

IUPAC2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
SMILESN/C(=N/OCC(=O)NC1CCCCC1)c1cc(Br)cs1
InChIInChI=1S/C13H18BrN3O2S/c14-9-6-11(20-8-9)13(15)17-19-7-12(18)16-10-4-2-1-3-5-10/h6,8,10H,1-5,7H2,(H2,15,17)(H,16,18)
InChIKeyGUVHRUPKMOFJOF-UHFFFAOYSA-N
MW360.28 g/mol
LogP2.60
Rot. Bonds5

About 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide

2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide (PubChem CID 87024134) has the molecular formula C13H18BrN3O2S and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
PubChem CID87024134
Molecular FormulaC13H18BrN3O2S
Molecular Weight360.28 g/mol
Exact Mass359.03
IUPAC Name2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
SMILESN/C(=N/OCC(=O)NC1CCCCC1)c1cc(Br)cs1
InChIInChI=1S/C13H18BrN3O2S/c14-9-6-11(20-8-9)13(15)17-19-7-12(18)16-10-4-2-1-3-5-10/h6,8,10H,1-5,7H2,(H2,15,17)(H,16,18)
InChIKeyGUVHRUPKMOFJOF-UHFFFAOYSA-N
XLogP2.60
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
CID 126805518
2-[(Z)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94592234
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
CID 51654514
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
CID 103598636
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
2-(4-bromothiophen-2-yl)-2-chloro-N-cyclohexylacetamide
CID 55048105
4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
2-(4-bromo-2,6-dimethylphenoxy)-N-cyclododecylacetamide
CID 19175356
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide?
The IUPAC name of 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide (CID 87024134) is 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide?
The canonical SMILES for 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide is N/C(=N/OCC(=O)NC1CCCCC1)c1cc(Br)cs1.
What is the InChIKey of 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide?
The InChIKey is GUVHRUPKMOFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2S/c14-9-6-11(20-8-9)13(15)17-19-7-12(18)16-10-4-2-1-3-5-10/h6,8,10H,1-5,7H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide?
2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide has a molecular weight of 360.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide is sourced from PubChem (CID 87024134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).