N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide

C12H10Br2N2O2S — CID 81116987

IUPACN-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c1-18-9-2-3-19-11(9)12(17)16-10-7(14)4-6(13)5-8(10)15/h2-5H,15H2,1H3,(H,16,17)
InChIKeyJABBJVQLGFUBPF-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.12
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide

N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 81116987) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
PubChem CID81116987
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC NameN-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c1-18-9-2-3-19-11(9)12(17)16-10-7(14)4-6(13)5-8(10)15/h2-5H,15H2,1H3,(H,16,17)
InChIKeyJABBJVQLGFUBPF-UHFFFAOYSA-N
XLogP4.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(2-amino-4,6-dibromophenyl)-2-fluoro-6-methoxybenzamide
CID 65433208
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
N-(3-amino-4-methoxyphenyl)-3-bromothiophene-2-carboxamide
CID 63797635
3-amino-N-(4-bromo-3-methoxyphenyl)thiophene-2-carboxamide
CID 82857699
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
CID 62874469
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide (CID 81116987) is N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is JABBJVQLGFUBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c1-18-9-2-3-19-11(9)12(17)16-10-7(14)4-6(13)5-8(10)15/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide?
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 406.10 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81116987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).