N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide

C24H26N2O2S — CID 7525949

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-21-10-8-18(9-11-21)15-24(27)25-16-22(23-7-4-14-29-23)26-13-12-19-5-2-3-6-20(19)17-26/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyAQPXIBCQFZCZCL-JOCHJYFZSA-N
MW406.55 g/mol
LogP4.22
Rot. Bonds7

About N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7525949) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID7525949
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H26N2O2S/c1-28-21-10-8-18(9-11-21)15-24(27)25-16-22(23-7-4-14-29-23)26-13-12-19-5-2-3-6-20(19)17-26/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyAQPXIBCQFZCZCL-JOCHJYFZSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-(4-methoxyphenyl)oxamide
CID 30717845
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-ethoxyacetamide
CID 7526117
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 7525955
2-(4-chlorophenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 30717501
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 7526057
N'-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-ethyloxamide
CID 7526221
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 7179343
5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 16810739
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 7526223
N'-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 30717764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide (CID 7525949) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is AQPXIBCQFZCZCL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-28-21-10-8-18(9-11-21)15-24(27)25-16-22(23-7-4-14-29-23)26-13-12-19-5-2-3-6-20(19)17-26/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7525949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).