2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide

C12H9Br2NO2S — CID 103674569

IUPAC2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)sc2Br)c(O)c1
InChIInChI=1S/C12H9Br2NO2S/c1-6-2-3-8(9(16)4-6)15-12(17)7-5-10(13)18-11(7)14/h2-5,16H,1H3,(H,15,17)
InChIKeyIPWOAOUITFTEBJ-UHFFFAOYSA-N
MW391.08 g/mol
LogP4.54
Rot. Bonds2

About 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide (PubChem CID 103674569) has the molecular formula C12H9Br2NO2S and a molecular weight of 391.08 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
PubChem CID103674569
Molecular FormulaC12H9Br2NO2S
Molecular Weight391.08 g/mol
Exact Mass388.87
IUPAC Name2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)sc2Br)c(O)c1
InChIInChI=1S/C12H9Br2NO2S/c1-6-2-3-8(9(16)4-6)15-12(17)7-5-10(13)18-11(7)14/h2-5,16H,1H3,(H,15,17)
InChIKeyIPWOAOUITFTEBJ-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-2,5-dibromothiophene-3-carboxamide
CID 107964056
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
2,5-dibromo-N-(4-chloro-2-iodophenyl)thiophene-3-carboxamide
CID 107961994
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
N-(2-acetylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 113237224
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
CID 29008265

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide (CID 103674569) is 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide is Cc1ccc(NC(=O)c2cc(Br)sc2Br)c(O)c1.
What is the InChIKey of 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is IPWOAOUITFTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2S/c1-6-2-3-8(9(16)4-6)15-12(17)7-5-10(13)18-11(7)14/h2-5,16H,1H3,(H,15,17).
What are the key properties of 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide has a molecular weight of 391.08 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 103674569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).