N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide

C16H17NO2S2 — CID 3803224

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide
SMILESO=C(C=CSc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C16H17NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-8,10-11H,9,12-13H2,(H,17,18)
InChIKeyDHDRSYPSZUDBOR-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.93
Rot. Bonds8

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide (PubChem CID 3803224) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide
PubChem CID3803224
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide
SMILESO=C(C=CSc1ccccc1)NCCSCc1ccco1
InChIInChI=1S/C16H17NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-8,10-11H,9,12-13H2,(H,17,18)
InChIKeyDHDRSYPSZUDBOR-UHFFFAOYSA-N
XLogP3.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide (CID 3803224) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide is O=C(C=CSc1ccccc1)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide?
The InChIKey is DHDRSYPSZUDBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c18-16(8-11-21-15-6-2-1-3-7-15)17-9-12-20-13-14-5-4-10-19-14/h1-8,10-11H,9,12-13H2,(H,17,18).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide has a molecular weight of 319.45 g/mol, XLogP of 3.93, 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]-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 3803224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).