N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide

C7H6Br2N2O3S — CID 112551114

IUPACN-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)CONC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N2O3S/c8-3-1-4(15-6(3)9)7(13)11-14-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyODGMOSWZQLKHCD-UHFFFAOYSA-N
MW358.01 g/mol
LogP1.42
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide

N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide (PubChem CID 112551114) has the molecular formula C7H6Br2N2O3S and a molecular weight of 358.01 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
PubChem CID112551114
Molecular FormulaC7H6Br2N2O3S
Molecular Weight358.01 g/mol
Exact Mass355.85
IUPAC NameN-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide
SMILESNC(=O)CONC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N2O3S/c8-3-1-4(15-6(3)9)7(13)11-14-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13)
InChIKeyODGMOSWZQLKHCD-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.01
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide (CID 112551114) is N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide is NC(=O)CONC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is ODGMOSWZQLKHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O3S/c8-3-1-4(15-6(3)9)7(13)11-14-2-5(10)12/h1H,2H2,(H2,10,12)(H,11,13).
What are the key properties of N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide?
N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 358.01 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 112551114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).