N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide

C11H12F3NO3S — CID 47028830

IUPACN-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCOc1cc(NC(=O)CSC(F)(F)F)cc(OC)c1
InChIInChI=1S/C11H12F3NO3S/c1-17-8-3-7(4-9(5-8)18-2)15-10(16)6-19-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyQPTKILYXEDJXHG-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.90
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide

N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 47028830) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID47028830
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCOc1cc(NC(=O)CSC(F)(F)F)cc(OC)c1
InChIInChI=1S/C11H12F3NO3S/c1-17-8-3-7(4-9(5-8)18-2)15-10(16)6-19-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyQPTKILYXEDJXHG-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide (CID 47028830) is N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide is COc1cc(NC(=O)CSC(F)(F)F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is QPTKILYXEDJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-17-8-3-7(4-9(5-8)18-2)15-10(16)6-19-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 295.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 47028830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).