2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

C25H28N2O4S — CID 17421377

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C25H28N2O4S/c1-29-21-8-6-20(7-9-21)27(16-22-5-4-12-32-22)25(28)17-26-11-10-18-13-23(30-2)24(31-3)14-19(18)15-26/h4-9,12-14H,10-11,15-17H2,1-3H3
InChIKeyWMEIXRBDHNGNJV-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.37
Rot. Bonds8

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 17421377) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID17421377
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C25H28N2O4S/c1-29-21-8-6-20(7-9-21)27(16-22-5-4-12-32-22)25(28)17-26-11-10-18-13-23(30-2)24(31-3)14-19(18)15-26/h4-9,12-14H,10-11,15-17H2,1-3H3
InChIKeyWMEIXRBDHNGNJV-UHFFFAOYSA-N
XLogP4.37
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 18138005
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 9347668
N-(4-methoxyphenyl)-1-methylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 55383347
N-(4-methoxyphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40862578
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 71860075
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
(2R)-N-(4-methoxyphenyl)-4-methyl-N-(thiophen-2-ylmethyl)morpholine-2-carboxamide
CID 124508136
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41173633

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 17421377) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(Cc2cccs2)C(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WMEIXRBDHNGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-29-21-8-6-20(7-9-21)27(16-22-5-4-12-32-22)25(28)17-26-11-10-18-13-23(30-2)24(31-3)14-19(18)15-26/h4-9,12-14H,10-11,15-17H2,1-3H3.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 17421377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).