2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide

C16H23NO2S — CID 115771303

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2S/c1-2-17(9-4-10-18)16(19)12-20-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3
InChIKeyMQVTXAJFTVAMKL-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide (PubChem CID 115771303) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
PubChem CID115771303
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2S/c1-2-17(9-4-10-18)16(19)12-20-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3
InChIKeyMQVTXAJFTVAMKL-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide (CID 115771303) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is MQVTXAJFTVAMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-2-17(9-4-10-18)16(19)12-20-15-8-7-13-5-3-6-14(13)11-15/h7-8,11,18H,2-6,9-10,12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 115771303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).