2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide

C14H15NO2S — CID 2381144

IUPAC2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSCc1ccco1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-15(12-6-3-2-4-7-12)14(16)11-18-10-13-8-5-9-17-13/h2-9H,10-11H2,1H3
InChIKeyIZLIYLMEZWSVJR-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.18
Rot. Bonds5

About 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide

2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide (PubChem CID 2381144) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide
PubChem CID2381144
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSCc1ccco1)c1ccccc1
InChIInChI=1S/C14H15NO2S/c1-15(12-6-3-2-4-7-12)14(16)11-18-10-13-8-5-9-17-13/h2-9H,10-11H2,1H3
InChIKeyIZLIYLMEZWSVJR-UHFFFAOYSA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide (CID 2381144) is 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide is CN(C(=O)CSCc1ccco1)c1ccccc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide?
The InChIKey is IZLIYLMEZWSVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-15(12-6-3-2-4-7-12)14(16)11-18-10-13-8-5-9-17-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide?
2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide has a molecular weight of 261.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 2381144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).