2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C16H14F3NO2S — CID 71014790

IUPAC2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H14F3NO2S/c1-10(21)11-6-7-14(13-5-3-2-4-12(11)13)23-8-15(22)20-9-16(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyHRCFLICZDUIOSY-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.81
Rot. Bonds5

About 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71014790) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71014790
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H14F3NO2S/c1-10(21)11-6-7-14(13-5-3-2-4-12(11)13)23-8-15(22)20-9-16(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyHRCFLICZDUIOSY-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71014790) is 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)c1ccc(SCC(=O)NCC(F)(F)F)c2ccccc12.
What is the InChIKey of 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HRCFLICZDUIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-10(21)11-6-7-14(13-5-3-2-4-12(11)13)23-8-15(22)20-9-16(17,18)19/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 341.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylnaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71014790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).