N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide

C12H11NO2S — CID 1073867

IUPACN-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO2S/c1-8-4-5-10(14)9(7-8)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)
InChIKeyWYNHOIDRIJEVRZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.01
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide

N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 1073867) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
PubChem CID1073867
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO2S/c1-8-4-5-10(14)9(7-8)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)
InChIKeyWYNHOIDRIJEVRZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide (CID 1073867) is N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide is Cc1ccc(O)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WYNHOIDRIJEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-4-5-10(14)9(7-8)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15).
What are the key properties of N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide?
N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).