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

C17H20N2OS — CID 65260418

IUPACN-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C17H20N2OS/c1-12(9-14-6-4-8-21-14)19-17(20)16-11-18-10-13-5-2-3-7-15(13)16/h2-8,12,16,18H,9-11H2,1H3,(H,19,20)
InChIKeyWXAAYJOXKUFVEB-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.68
Rot. Bonds4

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

N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260418) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260418
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(Cc1cccs1)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C17H20N2OS/c1-12(9-14-6-4-8-21-14)19-17(20)16-11-18-10-13-5-2-3-7-15(13)16/h2-8,12,16,18H,9-11H2,1H3,(H,19,20)
InChIKeyWXAAYJOXKUFVEB-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
N-[(2R)-1-thiophen-2-ylpropan-2-yl]cyclobutanecarboxamide
CID 51897806
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
(1S,6R)-6-(1-thiophen-2-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962113

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260418) is N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(Cc1cccs1)NC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is WXAAYJOXKUFVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(9-14-6-4-8-21-14)19-17(20)16-11-18-10-13-5-2-3-7-15(13)16/h2-8,12,16,18H,9-11H2,1H3,(H,19,20).
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).