5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide

C12H9Br2NO2S — CID 63999218

IUPAC5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Br)c2)cc1Br
InChIInChI=1S/C12H9Br2NO2S/c1-17-10-3-2-8(5-9(10)13)15-12(16)7-4-11(14)18-6-7/h2-6H,1H3,(H,15,16)
InChIKeyFQTMUEYGYOJPGH-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.53
Rot. Bonds3

About 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide

5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide (PubChem CID 63999218) has the molecular formula C12H9Br2NO2S and a molecular weight of 391.08 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
PubChem CID63999218
Molecular FormulaC12H9Br2NO2S
Molecular Weight391.08 g/mol
Exact Mass388.87
IUPAC Name5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(Br)c2)cc1Br
InChIInChI=1S/C12H9Br2NO2S/c1-17-10-3-2-8(5-9(10)13)15-12(16)7-4-11(14)18-6-7/h2-6H,1H3,(H,15,16)
InChIKeyFQTMUEYGYOJPGH-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

5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
5-bromo-N-[4-(difluoromethoxy)-3-fluorophenyl]thiophene-3-carboxamide
CID 47267877
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 39862378

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide (CID 63999218) is 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide is COc1ccc(NC(=O)c2csc(Br)c2)cc1Br.
What is the InChIKey of 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide?
The InChIKey is FQTMUEYGYOJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2S/c1-17-10-3-2-8(5-9(10)13)15-12(16)7-4-11(14)18-6-7/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide?
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-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-4-methoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 63999218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).