2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

C18H21NO2S — CID 67516707

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO2S/c1-2-19(12-17-7-4-10-22-17)18(20)13-21-16-9-8-14-5-3-6-15(14)11-16/h4,7-11H,2-3,5-6,12-13H2,1H3
InChIKeyJELYUBMIURRRQY-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.66
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 67516707) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID67516707
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C18H21NO2S/c1-2-19(12-17-7-4-10-22-17)18(20)13-21-16-9-8-14-5-3-6-15(14)11-16/h4,7-11H,2-3,5-6,12-13H2,1H3
InChIKeyJELYUBMIURRRQY-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (CID 67516707) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JELYUBMIURRRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-19(12-17-7-4-10-22-17)18(20)13-21-16-9-8-14-5-3-6-15(14)11-16/h4,7-11H,2-3,5-6,12-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 67516707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).