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

C12H9Br2NO2S — CID 82868079

IUPAC5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H9Br2NO2S/c1-17-9-5-7(13)4-8(6-9)15-12(16)10-2-3-11(14)18-10/h2-6H,1H3,(H,15,16)
InChIKeyWPKBYLDVUYBTJI-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.53
Rot. Bonds3

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

5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 82868079) has the molecular formula C12H9Br2NO2S and a molecular weight of 391.08 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
PubChem CID82868079
Molecular FormulaC12H9Br2NO2S
Molecular Weight391.08 g/mol
Exact Mass388.87
IUPAC Name5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C12H9Br2NO2S/c1-17-9-5-7(13)4-8(6-9)15-12(16)10-2-3-11(14)18-10/h2-6H,1H3,(H,15,16)
InChIKeyWPKBYLDVUYBTJI-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
1-[(5-bromothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)urea
CID 25226709
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide (CID 82868079) is 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide is COc1cc(Br)cc(NC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is WPKBYLDVUYBTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2S/c1-17-9-5-7(13)4-8(6-9)15-12(16)10-2-3-11(14)18-10/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide?
5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 391.08 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-5-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 82868079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).