N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide

C20H17F3N2OS — CID 121084904

IUPACN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)17-7-5-16(6-8-17)19(26)25(11-9-18-4-2-12-27-18)14-15-3-1-10-24-13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyXQPAZYFDSMLNGY-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.05
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide

N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide (PubChem CID 121084904) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
PubChem CID121084904
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC NameN-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C20H17F3N2OS/c21-20(22,23)17-7-5-16(6-8-17)19(26)25(11-9-18-4-2-12-27-18)14-15-3-1-10-24-13-15/h1-8,10,12-13H,9,11,14H2
InChIKeyXQPAZYFDSMLNGY-UHFFFAOYSA-N
XLogP5.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-3-ylmethyl)-1-(2-thiophen-2-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121085047
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-9H-xanthene-9-carboxamide
CID 71781300
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870
N-[3-(3-chlorophenyl)propyl]-N-(3-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 57271986
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 171910025
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4596122
tert-butyl N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]-N-(pyridin-3-ylmethyl)carbamate
CID 111066213

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide (CID 121084904) is N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is XQPAZYFDSMLNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c21-20(22,23)17-7-5-16(6-8-17)19(26)25(11-9-18-4-2-12-27-18)14-15-3-1-10-24-13-15/h1-8,10,12-13H,9,11,14H2.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide?
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 390.43 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121084904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).