4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide

C12H8Br3NO2S — CID 47317630

IUPAC4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(13)4-8(9)16-12(17)10-5-7(14)11(15)19-10/h2-5H,1H3,(H,16,17)
InChIKeyCGRGDKZATICAAH-UHFFFAOYSA-N
MW469.98 g/mol
LogP5.30
Rot. Bonds3

About 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 47317630) has the molecular formula C12H8Br3NO2S and a molecular weight of 469.98 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
PubChem CID47317630
Molecular FormulaC12H8Br3NO2S
Molecular Weight469.98 g/mol
Exact Mass466.78
IUPAC Name4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(13)4-8(9)16-12(17)10-5-7(14)11(15)19-10/h2-5H,1H3,(H,16,17)
InChIKeyCGRGDKZATICAAH-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 61074376
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
1-(5-bromo-2-methoxyphenyl)-3-thiophen-3-ylurea
CID 75510519

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide (CID 47317630) is 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(Br)cc1NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is CGRGDKZATICAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(13)4-8(9)16-12(17)10-5-7(14)11(15)19-10/h2-5H,1H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 5.30, 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-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 47317630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).