2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

C16H16FNOS — CID 2943467

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLMEUAALZKWNVQD-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 2943467) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID2943467
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CSc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyLMEUAALZKWNVQD-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide (CID 2943467) is 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is CC(NC(=O)CSc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is LMEUAALZKWNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12(13-5-3-2-4-6-13)18-16(19)11-20-15-9-7-14(17)8-10-15/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2943467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).