1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone

C15H15NO2S — CID 2374353

IUPAC1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-15(11-19-10-13-5-3-9-18-13)16-8-7-12-4-1-2-6-14(12)16/h1-6,9H,7-8,10-11H2
InChIKeyAPITVTNESFEFDZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone (PubChem CID 2374353) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
PubChem CID2374353
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone
SMILESO=C(CSCc1ccco1)N1CCc2ccccc21
InChIInChI=1S/C15H15NO2S/c17-15(11-19-10-13-5-3-9-18-13)16-8-7-12-4-1-2-6-14(12)16/h1-6,9H,7-8,10-11H2
InChIKeyAPITVTNESFEFDZ-UHFFFAOYSA-N
XLogP3.10
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydroindol-1-yl-(2-methylfuran-3-yl)methanone
CID 705594
(E)-1-(2,3-dihydroindol-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 779814
(E)-1-(2,3-dihydroindol-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 896982
(5Z)-5-(2-furylmethylene)-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 2252653
5-(2-Furylmethylene)-3-(4-methylphenyl)-2-thioxo-1,3-thiazolidin-4-one
CID 2252654
(3Z)-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 5476622
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(2-furylmethyl)acetamide
CID 3237964
N-[3-(2-furyl)-1-methylpropyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3242445
2-[(2-furylmethyl)thio]-N-(4-methylphenyl)acetamide
CID 5298617
1-(2-Furoyl)indoline
CID 673349
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 20911856
N-(2-furylmethyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide
CID 3243356

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone (CID 2374353) is 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone is O=C(CSCc1ccco1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone?
The InChIKey is APITVTNESFEFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-15(11-19-10-13-5-3-9-18-13)16-8-7-12-4-1-2-6-14(12)16/h1-6,9H,7-8,10-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone has a molecular weight of 273.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(furan-2-ylmethylsulfanyl)ethanone is sourced from PubChem (CID 2374353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).