2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C22H25N3O3S — CID 27081744

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)NC(=O)NCCc3cccs3)ccc2c1
InChIInChI=1S/C22H25N3O3S/c1-25(14-16-5-6-18-13-19(28-2)8-7-17(18)12-16)15-21(26)24-22(27)23-10-9-20-4-3-11-29-20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,23,24,26,27)
InChIKeyGAAJELPFACPBIY-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.41
Rot. Bonds8

About 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 27081744) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID27081744
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)NC(=O)NCCc3cccs3)ccc2c1
InChIInChI=1S/C22H25N3O3S/c1-25(14-16-5-6-18-13-19(28-2)8-7-17(18)12-16)15-21(26)24-22(27)23-10-9-20-4-3-11-29-20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,23,24,26,27)
InChIKeyGAAJELPFACPBIY-UHFFFAOYSA-N
XLogP3.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 18088830
N-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 8925417
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
(6-methoxynaphthalen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8925268
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
2-[(6-methoxynaphthalen-2-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111039079
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
2-[[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetyl]amino]-N-propylacetamide
CID 8925345
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 27081744) is 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is COc1ccc2cc(CN(C)CC(=O)NC(=O)NCCc3cccs3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is GAAJELPFACPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-25(14-16-5-6-18-13-19(28-2)8-7-17(18)12-16)15-21(26)24-22(27)23-10-9-20-4-3-11-29-20/h3-8,11-13H,9-10,14-15H2,1-2H3,(H2,23,24,26,27).
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 27081744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).