2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

C17H19NOS — CID 116609415

IUPAC2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C17H19NOS/c1-2-15-5-6-16(20-15)10-17(19)13-4-3-12-7-8-18-11-14(12)9-13/h3-6,9,18H,2,7-8,10-11H2,1H3
InChIKeyKOOXGAZLHTXVNH-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.38
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone

2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (PubChem CID 116609415) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
PubChem CID116609415
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc3c(c2)CNCC3)s1
InChIInChI=1S/C17H19NOS/c1-2-15-5-6-16(20-15)10-17(19)13-4-3-12-7-8-18-11-14(12)9-13/h3-6,9,18H,2,7-8,10-11H2,1H3
InChIKeyKOOXGAZLHTXVNH-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone with MolForge

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Related Compounds

Norketotifen
CID 9904236
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 2933240
N-[1-(3,4-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 2971573
[1-(Thiophene-2-carbonyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741900
US10550073, Example 56
CID 135283463
US10550073, Example 55
CID 135283577
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-phenylthiophene-2-carboxamide
CID 177335635
N-butyl-4-thiophen-3-ylbenzamide
CID 155529683
2,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4463689
3,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 844921
1-(4-fluorophenyl)-2-[(2R,6R)-6-thiophen-2-ylpiperidin-2-yl]ethanone
CID 155930979

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone (CID 116609415) is 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is CCc1ccc(CC(=O)c2ccc3c(c2)CNCC3)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
The InChIKey is KOOXGAZLHTXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-15-5-6-16(20-15)10-17(19)13-4-3-12-7-8-18-11-14(12)9-13/h3-6,9,18H,2,7-8,10-11H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone?
2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone has a molecular weight of 285.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone is sourced from PubChem (CID 116609415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).