2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide

C14H15NO2S — CID 5298617

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccco2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeySUDZVHVERINPDZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.46
Rot. Bonds5

About 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide (PubChem CID 5298617) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide
PubChem CID5298617
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccco2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeySUDZVHVERINPDZ-UHFFFAOYSA-N
XLogP3.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide (CID 5298617) is 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide?
The InChIKey is SUDZVHVERINPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)15-14(16)10-18-9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 5298617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).