N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H18N2OS — CID 65260690

IUPACN-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CNCc2ccccc21
InChIInChI=1S/C16H18N2OS/c19-16(18-8-7-13-5-3-9-20-13)15-11-17-10-12-4-1-2-6-14(12)15/h1-6,9,15,17H,7-8,10-11H2,(H,18,19)
InChIKeyISAZQVOIOAAJDB-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.29
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260690) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260690
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CNCc2ccccc21
InChIInChI=1S/C16H18N2OS/c19-16(18-8-7-13-5-3-9-20-13)15-11-17-10-12-4-1-2-6-14(12)15/h1-6,9,15,17H,7-8,10-11H2,(H,18,19)
InChIKeyISAZQVOIOAAJDB-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260418
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262599
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260690) is N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(NCCc1cccs1)C1CNCc2ccccc21.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is ISAZQVOIOAAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(18-8-7-13-5-3-9-20-13)15-11-17-10-12-4-1-2-6-14(12)15/h1-6,9,15,17H,7-8,10-11H2,(H,18,19).
What are the key properties of N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).