2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

C24H23F3N2O3S — CID 16555243

IUPAC2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C24H23F3N2O3S/c1-31-19-11-15-8-9-29(23(21-7-4-10-33-21)18(15)13-20(19)32-2)14-22(30)28-17-6-3-5-16(12-17)24(25,26)27/h3-7,10-13,23H,8-9,14H2,1-2H3,(H,28,30)
InChIKeyLSYGSQYZBOSIEK-UHFFFAOYSA-N
MW476.52 g/mol
LogP5.37
Rot. Bonds6

About 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16555243) has the molecular formula C24H23F3N2O3S and a molecular weight of 476.52 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID16555243
Molecular FormulaC24H23F3N2O3S
Molecular Weight476.52 g/mol
Exact Mass476.14
IUPAC Name2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C24H23F3N2O3S/c1-31-19-11-15-8-9-29(23(21-7-4-10-33-21)18(15)13-20(19)32-2)14-22(30)28-17-6-3-5-16(12-17)24(25,26)27/h3-7,10-13,23H,8-9,14H2,1-2H3,(H,28,30)
InChIKeyLSYGSQYZBOSIEK-UHFFFAOYSA-N
XLogP5.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)acetamide
CID 51199578
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 51171675
2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41134859
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 11923816
N-(3-fluorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129014
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one
CID 9288707
4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid
CID 124564392
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 55503533
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 166193721
(1R)-6,7-dimethoxy-N-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772459
N-(2-methoxyphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128861

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 16555243) is 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is COc1cc2c(cc1OC)C(c1cccs1)N(CC(=O)Nc1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LSYGSQYZBOSIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3S/c1-31-19-11-15-8-9-29(23(21-7-4-10-33-21)18(15)13-20(19)32-2)14-22(30)28-17-6-3-5-16(12-17)24(25,26)27/h3-7,10-13,23H,8-9,14H2,1-2H3,(H,28,30).
What are the key properties of 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 476.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).