N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide

C15H17NO3S — CID 651015

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C15H17NO3S/c17-15(11-19-13-5-2-1-3-6-13)16-8-10-20-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17)
InChIKeyQULWCMVQWPZWLT-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.71
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide (PubChem CID 651015) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide
PubChem CID651015
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C15H17NO3S/c17-15(11-19-13-5-2-1-3-6-13)16-8-10-20-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17)
InChIKeyQULWCMVQWPZWLT-UHFFFAOYSA-N
XLogP2.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide (CID 651015) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide?
The InChIKey is QULWCMVQWPZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-15(11-19-13-5-2-1-3-6-13)16-8-10-20-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide has a molecular weight of 291.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 651015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).