2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

C17H17F3N2OS — CID 51244387

IUPAC2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCc2sccc2C1c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)11-21-15(23)10-22-8-6-14-13(7-9-24-14)16(22)12-4-2-1-3-5-12/h1-5,7,9,16H,6,8,10-11H2,(H,21,23)
InChIKeySUNDYJUJHNKRKT-UHFFFAOYSA-N
MW354.40 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51244387) has the molecular formula C17H17F3N2OS and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51244387
Molecular FormulaC17H17F3N2OS
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCc2sccc2C1c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2OS/c18-17(19,20)11-21-15(23)10-22-8-6-14-13(7-9-24-14)16(22)12-4-2-1-3-5-12/h1-5,7,9,16H,6,8,10-11H2,(H,21,23)
InChIKeySUNDYJUJHNKRKT-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
CID 40882407
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
N-(3,4-difluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492460
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25489177
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
N-(4-nitrophenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25480406
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18094635
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9451044

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 51244387) is 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCc2sccc2C1c1ccccc1)NCC(F)(F)F.
What is the InChIKey of 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SUNDYJUJHNKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2OS/c18-17(19,20)11-21-15(23)10-22-8-6-14-13(7-9-24-14)16(22)12-4-2-1-3-5-12/h1-5,7,9,16H,6,8,10-11H2,(H,21,23).
What are the key properties of 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51244387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).