2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

C16H16FNOS2 — CID 2765499

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSc1ccccc1
InChIInChI=1S/C16H16FNOS2/c17-13-6-8-15(9-7-13)21-12-16(19)18-10-11-20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyYWNPBMVEOXMMSG-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.83
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2765499) has the molecular formula C16H16FNOS2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2765499
Molecular FormulaC16H16FNOS2
Molecular Weight321.44 g/mol
Exact Mass321.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCSc1ccccc1
InChIInChI=1S/C16H16FNOS2/c17-13-6-8-15(9-7-13)21-12-16(19)18-10-11-20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyYWNPBMVEOXMMSG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.83
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-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide (CID 2765499) is 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is O=C(CSc1ccc(F)cc1)NCCSc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is YWNPBMVEOXMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS2/c17-13-6-8-15(9-7-13)21-12-16(19)18-10-11-20-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 321.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2765499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).