N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide

C18H22N2OS — CID 70739835

IUPACN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)Cc1cccs1
InChIInChI=1S/C18H22N2OS/c1-19-12-15-7-4-3-6-14(15)10-16(19)13-20(2)18(21)11-17-8-5-9-22-17/h3-9,16H,10-13H2,1-2H3
InChIKeyZNGJGSDKNKIXJN-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide

N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 70739835) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID70739835
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCN(CC1Cc2ccccc2CN1C)C(=O)Cc1cccs1
InChIInChI=1S/C18H22N2OS/c1-19-12-15-7-4-3-6-14(15)10-16(19)13-20(2)18(21)11-17-8-5-9-22-17/h3-9,16H,10-13H2,1-2H3
InChIKeyZNGJGSDKNKIXJN-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide (CID 70739835) is N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide is CN(CC1Cc2ccccc2CN1C)C(=O)Cc1cccs1.
What is the InChIKey of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZNGJGSDKNKIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19-12-15-7-4-3-6-14(15)10-16(19)13-20(2)18(21)11-17-8-5-9-22-17/h3-9,16H,10-13H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide?
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 70739835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).