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

C15H17NO2S — CID 2287824

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C15H17NO2S/c17-15(11-13-5-2-1-3-6-13)16-8-10-19-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17)
InChIKeySMFPRIKQLDZELV-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.87
Rot. Bonds7

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide (PubChem CID 2287824) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide
PubChem CID2287824
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C15H17NO2S/c17-15(11-13-5-2-1-3-6-13)16-8-10-19-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17)
InChIKeySMFPRIKQLDZELV-UHFFFAOYSA-N
XLogP2.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide (CID 2287824) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide?
The InChIKey is SMFPRIKQLDZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(11-13-5-2-1-3-6-13)16-8-10-19-12-14-7-4-9-18-14/h1-7,9H,8,10-12H2,(H,16,17).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide has a molecular weight of 275.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 2287824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).