N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H19F3N2O2S — CID 42953745

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1
InChIInChI=1S/C20H19F3N2O2S/c1-25(2)16(14-8-9-28-12-14)11-24-19(26)18-7-6-17(27-18)13-4-3-5-15(10-13)20(21,22)23/h3-10,12,16H,11H2,1-2H3,(H,24,26)
InChIKeyWLYFGOQMYYWVTG-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.06
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 42953745) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID42953745
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1
InChIInChI=1S/C20H19F3N2O2S/c1-25(2)16(14-8-9-28-12-14)11-24-19(26)18-7-6-17(27-18)13-4-3-5-15(10-13)20(21,22)23/h3-10,12,16H,11H2,1-2H3,(H,24,26)
InChIKeyWLYFGOQMYYWVTG-UHFFFAOYSA-N
XLogP5.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-bis(trifluoromethyl)benzamide
CID 32631322
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 43060829
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 32634841
N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 56777615
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 42953745) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(C)C(CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is WLYFGOQMYYWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-25(2)16(14-8-9-28-12-14)11-24-19(26)18-7-6-17(27-18)13-4-3-5-15(10-13)20(21,22)23/h3-10,12,16H,11H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 42953745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).