2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C22H17F4NOS — CID 57325845

IUPAC2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4NOS/c23-17-7-1-14(2-8-17)13-20(28)27-11-9-19-18(10-12-29-19)21(27)15-3-5-16(6-4-15)22(24,25)26/h1-8,10,12,21H,9,11,13H2
InChIKeyYUWGYSIVEABLIX-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.62
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 57325845) has the molecular formula C22H17F4NOS and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID57325845
Molecular FormulaC22H17F4NOS
Molecular Weight419.44 g/mol
Exact Mass419.10
IUPAC Name2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F4NOS/c23-17-7-1-14(2-8-17)13-20(28)27-11-9-19-18(10-12-29-19)21(27)15-3-5-16(6-4-15)22(24,25)26/h1-8,10,12,21H,9,11,13H2
InChIKeyYUWGYSIVEABLIX-UHFFFAOYSA-N
XLogP5.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(piperidin-1-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 15697378
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-(thiophen-3-yl)piperidin-1-yl)butanamide
CID 11844209
(2-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 57325765
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 168273424
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 24685808
N-(4-fluorobenzyl)-N-methyl-3-phenyl-thiophene-2-carboxamide
CID 24819439
(4-chlorophenyl)-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739401
2-(4-phenylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17529161
N-[(3,5-Difluorophenyl)methyl]-5-(4-methylbenzoyl)-4H,5H,6H,7H-thieno[3,2-C]pyridine-2-carboxamide
CID 53158971
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
[4-(3-Fluorobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122189059

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 57325845) is 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is YUWGYSIVEABLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4NOS/c23-17-7-1-14(2-8-17)13-20(28)27-11-9-19-18(10-12-29-19)21(27)15-3-5-16(6-4-15)22(24,25)26/h1-8,10,12,21H,9,11,13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 419.44 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 57325845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).