N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide

C20H21NO2S — CID 24682495

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCOc1ccc2cc(CN(C)C(=O)CCc3cccs3)ccc2c1
InChIInChI=1S/C20H21NO2S/c1-21(20(22)10-9-19-4-3-11-24-19)14-15-5-6-17-13-18(23-2)8-7-16(17)12-15/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyNBVOEBQKRHWPOP-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.50
Rot. Bonds6

About N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 24682495) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID24682495
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCOc1ccc2cc(CN(C)C(=O)CCc3cccs3)ccc2c1
InChIInChI=1S/C20H21NO2S/c1-21(20(22)10-9-19-4-3-11-24-19)14-15-5-6-17-13-18(23-2)8-7-16(17)12-15/h3-8,11-13H,9-10,14H2,1-2H3
InChIKeyNBVOEBQKRHWPOP-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-thiophen-2-ylsulfanylacetamide
CID 30898336
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 18116994
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 17470683
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27081744
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
N-[(4-bromothiophen-2-yl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 47042136
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
2-(2,5-dimethoxyphenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806385
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 112790494

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide (CID 24682495) is N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is COc1ccc2cc(CN(C)C(=O)CCc3cccs3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is NBVOEBQKRHWPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-21(20(22)10-9-19-4-3-11-24-19)14-15-5-6-17-13-18(23-2)8-7-16(17)12-15/h3-8,11-13H,9-10,14H2,1-2H3.
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 24682495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).