2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

C16H15F2NOS2 — CID 9483105

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1cc(F)ccc1F)NCCSc1ccccc1
InChIInChI=1S/C16H15F2NOS2/c17-12-6-7-14(18)15(10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyRNBWLLUEFVSVDR-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.97
Rot. Bonds7

About 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 9483105) has the molecular formula C16H15F2NOS2 and a molecular weight of 339.43 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
PubChem CID9483105
Molecular FormulaC16H15F2NOS2
Molecular Weight339.43 g/mol
Exact Mass339.06
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1cc(F)ccc1F)NCCSc1ccccc1
InChIInChI=1S/C16H15F2NOS2/c17-12-6-7-14(18)15(10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyRNBWLLUEFVSVDR-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (CID 9483105) is 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is O=C(CSc1cc(F)ccc1F)NCCSc1ccccc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is RNBWLLUEFVSVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS2/c17-12-6-7-14(18)15(10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 339.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 9483105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).