N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide

C13H13NO2S — CID 64792905

IUPACN-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccsc2)cc1O
InChIInChI=1S/C13H13NO2S/c1-9-2-3-11(7-12(9)15)14-13(16)6-10-4-5-17-8-10/h2-5,7-8,15H,6H2,1H3,(H,14,16)
InChIKeyPDWJMNRBJMLUSU-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.94
Rot. Bonds3

About N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide

N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide (PubChem CID 64792905) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
PubChem CID64792905
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
SMILESCc1ccc(NC(=O)Cc2ccsc2)cc1O
InChIInChI=1S/C13H13NO2S/c1-9-2-3-11(7-12(9)15)14-13(16)6-10-4-5-17-8-10/h2-5,7-8,15H,6H2,1H3,(H,14,16)
InChIKeyPDWJMNRBJMLUSU-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 64794194
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
N-(3-hydroxy-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740885
2-(2,5-dimethylphenyl)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 64793457
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
2-[2-(aminomethyl)phenyl]-N-(3-hydroxy-4-methylphenyl)acetamide
CID 107701531
3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 28778986
3-chloro-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701176
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
2-(tert-butylamino)-N-(3-hydroxy-4-methylphenyl)acetamide
CID 103828117
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide (CID 64792905) is N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide is Cc1ccc(NC(=O)Cc2ccsc2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is PDWJMNRBJMLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-9-2-3-11(7-12(9)15)14-13(16)6-10-4-5-17-8-10/h2-5,7-8,15H,6H2,1H3,(H,14,16).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide?
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.94, 3 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)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 64792905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).