N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C17H20N2OS — CID 51103350

IUPACN-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCNC(=O)C1Cc2ccccc2CN1CCc1cccs1
InChIInChI=1S/C17H20N2OS/c1-18-17(20)16-11-13-5-2-3-6-14(13)12-19(16)9-8-15-7-4-10-21-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyJUVWHXJZTOXPJY-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 51103350) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID51103350
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCNC(=O)C1Cc2ccccc2CN1CCc1cccs1
InChIInChI=1S/C17H20N2OS/c1-18-17(20)16-11-13-5-2-3-6-14(13)12-19(16)9-8-15-7-4-10-21-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,18,20)
InChIKeyJUVWHXJZTOXPJY-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 51103350) is N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is CNC(=O)C1Cc2ccccc2CN1CCc1cccs1.
What is the InChIKey of N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is JUVWHXJZTOXPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-18-17(20)16-11-13-5-2-3-6-14(13)12-19(16)9-8-15-7-4-10-21-15/h2-7,10,16H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 51103350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).