N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

C17H21NO2S — CID 67512330

IUPACN-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-18(12-16-6-5-11-21-16)17(19)14(3)20-15-9-7-13(2)8-10-15/h5-11,14H,4,12H2,1-3H3
InChIKeyGFHZQLLTXCWZJP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.87
Rot. Bonds6

About N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 67512330) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID67512330
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C17H21NO2S/c1-4-18(12-16-6-5-11-21-16)17(19)14(3)20-15-9-7-13(2)8-10-15/h5-11,14H,4,12H2,1-3H3
InChIKeyGFHZQLLTXCWZJP-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-hydroxy-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)butanamide
CID 155945653
2-(4-methylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 67510388
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
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
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
2-(4-cyanophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51158213
N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 45351967
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
N-ethyl-2-methyl-3-(2-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 138547765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide (CID 67512330) is N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is GFHZQLLTXCWZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-18(12-16-6-5-11-21-16)17(19)14(3)20-15-9-7-13(2)8-10-15/h5-11,14H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 67512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).