N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

C14H15NO2S2 — CID 8638524

IUPACN-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccs2)c(O)c1
InChIInChI=1S/C14H15NO2S2/c1-10-4-5-12(13(16)7-10)15-14(17)9-18-8-11-3-2-6-19-11/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyBIXJKQLQLJPTAW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.63
Rot. Bonds5

About N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 8638524) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID8638524
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2cccs2)c(O)c1
InChIInChI=1S/C14H15NO2S2/c1-10-4-5-12(13(16)7-10)15-14(17)9-18-8-11-3-2-6-19-11/h2-7,16H,8-9H2,1H3,(H,15,17)
InChIKeyBIXJKQLQLJPTAW-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 8638524) is N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is Cc1ccc(NC(=O)CSCc2cccs2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is BIXJKQLQLJPTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-10-4-5-12(13(16)7-10)15-14(17)9-18-8-11-3-2-6-19-11/h2-7,16H,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 8638524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).