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

C13H13NO2S — CID 14989717

IUPACN-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(C)c2)s1
InChIInChI=1S/C13H13NO2S/c1-8-7-10(4-5-11(8)15)14-13(16)12-6-3-9(2)17-12/h3-7,15H,1-2H3,(H,14,16)
InChIKeyGYDCOFFRLPXXJU-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.32
Rot. Bonds2

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

N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 14989717) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
PubChem CID14989717
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(O)c(C)c2)s1
InChIInChI=1S/C13H13NO2S/c1-8-7-10(4-5-11(8)15)14-13(16)12-6-3-9(2)17-12/h3-7,15H,1-2H3,(H,14,16)
InChIKeyGYDCOFFRLPXXJU-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
N-(4-aminophenyl)-5-methylthiophene-2-carboxamide
CID 22612974
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
5-methyl-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 36865757
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
2-(ethylamino)-N-(4-hydroxy-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75436787
N-(4-hydroxy-3-methylphenyl)-2,6-dimethylbenzamide
CID 103828162
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide (CID 14989717) is N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(O)c(C)c2)s1.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is GYDCOFFRLPXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-8-7-10(4-5-11(8)15)14-13(16)12-6-3-9(2)17-12/h3-7,15H,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide?
N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 14989717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).