2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

C20H24N2O2S — CID 55981041

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O2S/c1-24-12-11-22(14-18-7-2-3-10-21-18)20(23)15-25-19-9-8-16-5-4-6-17(16)13-19/h2-3,7-10,13H,4-6,11-12,14-15H2,1H3
InChIKeyIEEWZSMYXQGSGT-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.34
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55981041) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55981041
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C20H24N2O2S/c1-24-12-11-22(14-18-7-2-3-10-21-18)20(23)15-25-19-9-8-16-5-4-6-17(16)13-19/h2-3,7-10,13H,4-6,11-12,14-15H2,1H3
InChIKeyIEEWZSMYXQGSGT-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60559259
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 81172532
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
2-amino-N-[2-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 60954047
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594217
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96551195
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771303

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 55981041) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is COCCN(Cc1ccccn1)C(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IEEWZSMYXQGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-24-12-11-22(14-18-7-2-3-10-21-18)20(23)15-25-19-9-8-16-5-4-6-17(16)13-19/h2-3,7-10,13H,4-6,11-12,14-15H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55981041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).