2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

C15H16FNO2S2 — CID 2823417

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSCc1ccco1
InChIInChI=1S/C15H16FNO2S2/c16-12-3-5-14(6-4-12)21-11-15(18)17-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyHYJHNLSVPLEMQX-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.56
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 2823417) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID2823417
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSCc1ccco1
InChIInChI=1S/C15H16FNO2S2/c16-12-3-5-14(6-4-12)21-11-15(18)17-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-11H2,(H,17,18)
InChIKeyHYJHNLSVPLEMQX-UHFFFAOYSA-N
XLogP3.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.56
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 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide (CID 2823417) is 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is O=C(CSc1ccc(F)cc1)NCCSCc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is HYJHNLSVPLEMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c16-12-3-5-14(6-4-12)21-11-15(18)17-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-11H2,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 2823417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).