4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide

C13H10Br3NO2S — CID 80536467

IUPAC4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br3NO2S/c1-6-3-7(14)4-9(19-2)11(6)17-13(18)10-5-8(15)12(16)20-10/h3-5H,1-2H3,(H,17,18)
InChIKeyIXWVSFKPJVKXAA-UHFFFAOYSA-N
MW484.01 g/mol
LogP5.60
Rot. Bonds3

About 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide (PubChem CID 80536467) has the molecular formula C13H10Br3NO2S and a molecular weight of 484.01 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
PubChem CID80536467
Molecular FormulaC13H10Br3NO2S
Molecular Weight484.01 g/mol
Exact Mass480.80
IUPAC Name4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H10Br3NO2S/c1-6-3-7(14)4-9(19-2)11(6)17-13(18)10-5-8(15)12(16)20-10/h3-5H,1-2H3,(H,17,18)
InChIKeyIXWVSFKPJVKXAA-UHFFFAOYSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.01
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
CID 80536593
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499
N-(2-amino-4-bromo-6-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976343
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(4-bromo-2-methoxy-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 167908208

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide (CID 80536467) is 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide is COc1cc(Br)cc(C)c1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide?
The InChIKey is IXWVSFKPJVKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br3NO2S/c1-6-3-7(14)4-9(19-2)11(6)17-13(18)10-5-8(15)12(16)20-10/h3-5H,1-2H3,(H,17,18).
What are the key properties of 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide has a molecular weight of 484.01 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80536467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).