N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide

C14H15NO2S — CID 815932

IUPACN-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyODBLFDRRJSJZSB-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.00
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 815932) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID815932
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyODBLFDRRJSJZSB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide (CID 815932) is N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ODBLFDRRJSJZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-4-6-13(7-5-11)18-10-14(16)15-9-12-3-2-8-17-12/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 261.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 815932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).