N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide

C16H17F3N2OS — CID 16931125

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-21(2)14(12-6-7-23-10-12)9-20-15(22)11-4-3-5-13(8-11)16(17,18)19/h3-8,10,14H,9H2,1-2H3,(H,20,22)
InChIKeyRZTMMQKRJRIMQF-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 16931125) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
PubChem CID16931125
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-21(2)14(12-6-7-23-10-12)9-20-15(22)11-4-3-5-13(8-11)16(17,18)19/h3-8,10,14H,9H2,1-2H3,(H,20,22)
InChIKeyRZTMMQKRJRIMQF-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide (CID 16931125) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide is CN(C)C(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RZTMMQKRJRIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-21(2)14(12-6-7-23-10-12)9-20-15(22)11-4-3-5-13(8-11)16(17,18)19/h3-8,10,14H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 342.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16931125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).