2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide

C7H8Br2N2O2S — CID 102837239

IUPAC2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(Br)c(Br)s1
InChIInChI=1S/C7H8Br2N2O2S/c8-5-1-4(14-7(5)9)2-11-13-3-6(10)12/h1,11H,2-3H2,(H2,10,12)
InChIKeyQMDVPGSBQYIODK-UHFFFAOYSA-N
MW344.03 g/mol
LogP1.78
Rot. Bonds5

About 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide

2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide (PubChem CID 102837239) has the molecular formula C7H8Br2N2O2S and a molecular weight of 344.03 g/mol. Its IUPAC name is 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
PubChem CID102837239
Molecular FormulaC7H8Br2N2O2S
Molecular Weight344.03 g/mol
Exact Mass341.87
IUPAC Name2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide
SMILESNC(=O)CONCc1cc(Br)c(Br)s1
InChIInChI=1S/C7H8Br2N2O2S/c8-5-1-4(14-7(5)9)2-11-13-3-6(10)12/h1,11H,2-3H2,(H2,10,12)
InChIKeyQMDVPGSBQYIODK-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.03
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
CID 112551114
1-(4,5-dibromothiophen-2-yl)-N-methoxymethanamine
CID 102837054
(4,5-dibromothiophen-2-yl)methylhydrazine
CID 80536373
2-[(2-bromophenyl)methylamino]oxyacetamide
CID 112672470
2-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
2-[(2-bromo-4-fluorophenyl)methylamino]oxyacetamide
CID 112673885
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702
2-[(3-bromo-2-hydroxyphenyl)methylamino]oxyacetamide
CID 112673065
tert-butyl N-[(4,5-dibromothiophen-2-yl)methylamino]carbamate
CID 107237310
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]oxyacetamide
CID 112673433

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide (CID 102837239) is 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide is NC(=O)CONCc1cc(Br)c(Br)s1.
What is the InChIKey of 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide?
The InChIKey is QMDVPGSBQYIODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O2S/c8-5-1-4(14-7(5)9)2-11-13-3-6(10)12/h1,11H,2-3H2,(H2,10,12).
What are the key properties of 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide?
2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide has a molecular weight of 344.03 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dibromothiophen-2-yl)methylamino]oxyacetamide is sourced from PubChem (CID 102837239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).