N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide

C17H15F3N2OS — CID 52641991

IUPACN-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESN#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)12-22(10-14-3-1-13(9-21)2-4-14)16(23)6-5-15-7-8-24-11-15/h1-4,7-8,11H,5-6,10,12H2
InChIKeyJEQUCYCNQSVTTH-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide

N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 52641991) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID52641991
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC NameN-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESN#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)12-22(10-14-3-1-13(9-21)2-4-14)16(23)6-5-15-7-8-24-11-15/h1-4,7-8,11H,5-6,10,12H2
InChIKeyJEQUCYCNQSVTTH-UHFFFAOYSA-N
XLogP4.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-cyanophenyl)methyl]-2-methylsulfonyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95625138
N-(cyanomethyl)-N-prop-2-ynyl-3-thiophen-3-ylpropanamide
CID 100693684
3-(4-cyanophenyl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 31840668
N-[(4-cyanophenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55594478
N-[(4-cyanophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 55769809
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
5-chloro-N-[(4-cyanophenyl)methyl]-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 55769401
N-[(4-cyanophenyl)methyl]-N-(2,2,2-trifluoroethyl)-1-benzothiophene-2-carboxamide
CID 52641992
N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
CID 52573104
N-[(4-cyanophenyl)methyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55993556
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 52641991) is N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide is N#Cc1ccc(CN(CC(F)(F)F)C(=O)CCc2ccsc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JEQUCYCNQSVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c18-17(19,20)12-22(10-14-3-1-13(9-21)2-4-14)16(23)6-5-15-7-8-24-11-15/h1-4,7-8,11H,5-6,10,12H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide?
N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 352.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-thiophen-3-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 52641991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).