N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide

C21H23NO2S — CID 45351967

IUPACN-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H23NO2S/c1-4-22(14-20-6-5-11-25-20)21(23)15(2)16-7-8-18-13-19(24-3)10-9-17(18)12-16/h5-13,15H,4,14H2,1-3H3
InChIKeyZOKBEUMWFKBHDT-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.06
Rot. Bonds6

About N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 45351967) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID45351967
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC NameN-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H23NO2S/c1-4-22(14-20-6-5-11-25-20)21(23)15(2)16-7-8-18-13-19(24-3)10-9-17(18)12-16/h5-13,15H,4,14H2,1-3H3
InChIKeyZOKBEUMWFKBHDT-UHFFFAOYSA-N
XLogP5.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide
CID 39949823
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 27770310
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
2-(2,5-dimethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806360
2-(6-methoxynaphthalen-2-yl)-N,N-bis(prop-2-enyl)propanamide
CID 73441725
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
(2S)-N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 100694823
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxyphenyl)propanamide
CID 119039574
N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
2-(aminomethyl)-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 65230128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 45351967) is N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ZOKBEUMWFKBHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-4-22(14-20-6-5-11-25-20)21(23)15(2)16-7-8-18-13-19(24-3)10-9-17(18)12-16/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 353.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 45351967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).