N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide

C12H11NO2S — CID 64794383

IUPACN-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1O
InChIInChI=1S/C12H11NO2S/c1-8-4-5-9(7-10(8)14)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)
InChIKeyBXNPOYQQCKZYPI-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.01
Rot. Bonds2

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

N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide (PubChem CID 64794383) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
PubChem CID64794383
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1O
InChIInChI=1S/C12H11NO2S/c1-8-4-5-9(7-10(8)14)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15)
InChIKeyBXNPOYQQCKZYPI-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

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Related Compounds

N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
N-[4-(3-methylanilino)phenyl]thiophene-2-carboxamide
CID 112985944
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide (CID 64794383) is N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is BXNPOYQQCKZYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-8-4-5-9(7-10(8)14)13-12(15)11-3-2-6-16-11/h2-7,14H,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide?
N-(3-hydroxy-4-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-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 64794383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).