N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide

C13H12BrNO2S — CID 166195214

IUPACN-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(Br)c(O)c(NC(=O)c2csc(C)c2)c1
InChIInChI=1S/C13H12BrNO2S/c1-7-3-10(14)12(16)11(4-7)15-13(17)9-5-8(2)18-6-9/h3-6,16H,1-2H3,(H,15,17)
InChIKeyWSTFGTDXMIDLPL-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.09
Rot. Bonds2

About N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide

N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide (PubChem CID 166195214) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
PubChem CID166195214
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(Br)c(O)c(NC(=O)c2csc(C)c2)c1
InChIInChI=1S/C13H12BrNO2S/c1-7-3-10(14)12(16)11(4-7)15-13(17)9-5-8(2)18-6-9/h3-6,16H,1-2H3,(H,15,17)
InChIKeyWSTFGTDXMIDLPL-UHFFFAOYSA-N
XLogP4.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.09
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

N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
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CID 79694128
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
N'-acetyl-5-methylthiophene-3-carbohydrazide
CID 131134139
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-(2-bromo-5-methylphenyl)-5-cyclohexylthiophene-3-carboxamide
CID 166349538
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide (CID 166195214) is N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide is Cc1cc(Br)c(O)c(NC(=O)c2csc(C)c2)c1.
What is the InChIKey of N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide?
The InChIKey is WSTFGTDXMIDLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-7-3-10(14)12(16)11(4-7)15-13(17)9-5-8(2)18-6-9/h3-6,16H,1-2H3,(H,15,17).
What are the key properties of N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide?
N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxy-5-methylphenyl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 166195214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).