N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide

C16H17F3N2OS — CID 16931137

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-21(2)14(12-7-8-23-10-12)9-20-15(22)11-3-5-13(6-4-11)16(17,18)19/h3-8,10,14H,9H2,1-2H3,(H,20,22)
InChIKeyQBIIRFWLMVGPQN-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide (PubChem CID 16931137) 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]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
PubChem CID16931137
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)C(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-21(2)14(12-7-8-23-10-12)9-20-15(22)11-3-5-13(6-4-11)16(17,18)19/h3-8,10,14H,9H2,1-2H3,(H,20,22)
InChIKeyQBIIRFWLMVGPQN-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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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
4-(carbamoylamino)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 46593287
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 43060793
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 42953745
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide (CID 16931137) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide is CN(C)C(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QBIIRFWLMVGPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-21(2)14(12-7-8-23-10-12)9-20-15(22)11-3-5-13(6-4-11)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]-4-(trifluoromethyl)benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16931137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).