N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide

C16H19NO2S2 — CID 2287878

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C16H19NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-7,10H,8-9,11-13H2,(H,17,18)
InChIKeyZZUCIDXEJDOAFH-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.81
Rot. Bonds9

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide (PubChem CID 2287878) has the molecular formula C16H19NO2S2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
PubChem CID2287878
Molecular FormulaC16H19NO2S2
Molecular Weight321.47 g/mol
Exact Mass321.09
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C16H19NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-7,10H,8-9,11-13H2,(H,17,18)
InChIKeyZZUCIDXEJDOAFH-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.81
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]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide (CID 2287878) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is ZZUCIDXEJDOAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-7,10H,8-9,11-13H2,(H,17,18).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 321.47 g/mol, XLogP of 3.81, 9 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]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2287878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).