2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C15H17NO2S — CID 3901438

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-6-12(2)14(8-11)19-10-15(17)16-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyWYRRXSJQHRUQGZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.30
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 3901438) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID3901438
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NCc2ccco2)c1
InChIInChI=1S/C15H17NO2S/c1-11-5-6-12(2)14(8-11)19-10-15(17)16-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyWYRRXSJQHRUQGZ-UHFFFAOYSA-N
XLogP3.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 3901438) is 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1ccc(C)c(SCC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WYRRXSJQHRUQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-5-6-12(2)14(8-11)19-10-15(17)16-9-13-4-3-7-18-13/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 275.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3901438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).