N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide

C16H16F3NO2S — CID 71810358

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C16H16F3NO2S/c1-10-7-8-14(23-10)13(22-2)9-20-15(21)11-5-3-4-6-12(11)16(17,18)19/h3-8,13H,9H2,1-2H3,(H,20,21)
InChIKeyMZLQJHJCDBLPND-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.19
Rot. Bonds5

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 71810358) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID71810358
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1
InChIInChI=1S/C16H16F3NO2S/c1-10-7-8-14(23-10)13(22-2)9-20-15(21)11-5-3-4-6-12(11)16(17,18)19/h3-8,13H,9H2,1-2H3,(H,20,21)
InChIKeyMZLQJHJCDBLPND-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 71810358) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide is COC(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is MZLQJHJCDBLPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-10-7-8-14(23-10)13(22-2)9-20-15(21)11-5-3-4-6-12(11)16(17,18)19/h3-8,13H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 343.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71810358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).