5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide

C13H12BrNO2S — CID 79990193

IUPAC5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2C)sc1Br
InChIInChI=1S/C13H12BrNO2S/c1-7-6-11(18-12(7)14)13(17)15-9-4-3-5-10(16)8(9)2/h3-6,16H,1-2H3,(H,15,17)
InChIKeyBBVHAKHGXYJFLH-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.09
Rot. Bonds2

About 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide (PubChem CID 79990193) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
PubChem CID79990193
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(O)c2C)sc1Br
InChIInChI=1S/C13H12BrNO2S/c1-7-6-11(18-12(7)14)13(17)15-9-4-3-5-10(16)8(9)2/h3-6,16H,1-2H3,(H,15,17)
InChIKeyBBVHAKHGXYJFLH-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

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Related Compounds

N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-4-methylthiophene-2-carboxamide
CID 107800842
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
5-bromo-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-4-methylthiophene-2-carboxamide
CID 79998067
5-bromo-4-methyl-N-[2-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 79998270
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
5-bromo-N-(2-hydroxy-5-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 103894360
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide (CID 79990193) is 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(O)c2C)sc1Br.
What is the InChIKey of 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is BBVHAKHGXYJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-7-6-11(18-12(7)14)13(17)15-9-4-3-5-10(16)8(9)2/h3-6,16H,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-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 5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79990193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).