5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide

C12H9Br2NOS — CID 43806118

IUPAC5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H9Br2NOS/c1-7-2-3-9(13)5-10(7)15-12(16)8-4-11(14)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyXRGNZKQTMUYQBU-UHFFFAOYSA-N
MW375.09 g/mol
LogP4.83
Rot. Bonds2

About 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide

5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide (PubChem CID 43806118) has the molecular formula C12H9Br2NOS and a molecular weight of 375.09 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
PubChem CID43806118
Molecular FormulaC12H9Br2NOS
Molecular Weight375.09 g/mol
Exact Mass372.88
IUPAC Name5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1csc(Br)c1
InChIInChI=1S/C12H9Br2NOS/c1-7-2-3-9(13)5-10(7)15-12(16)8-4-11(14)17-6-8/h2-6H,1H3,(H,15,16)
InChIKeyXRGNZKQTMUYQBU-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.09
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-methyl-5-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 39134325
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
5-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 60792710
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(5-bromo-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62921443
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide (CID 43806118) is 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide is Cc1ccc(Br)cc1NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide?
The InChIKey is XRGNZKQTMUYQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NOS/c1-7-2-3-9(13)5-10(7)15-12(16)8-4-11(14)17-6-8/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide?
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide has a molecular weight of 375.09 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43806118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).