1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone

C19H19NO2S2 — CID 17446546

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(C2SCCS2)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H19NO2S2/c21-18(20-10-9-14-3-1-2-4-17(14)20)13-22-16-7-5-15(6-8-16)19-23-11-12-24-19/h1-8,19H,9-13H2
InChIKeyFYEYDCGMINTBHC-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.13
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone (PubChem CID 17446546) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
PubChem CID17446546
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(C2SCCS2)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H19NO2S2/c21-18(20-10-9-14-3-1-2-4-17(14)20)13-22-16-7-5-15(6-8-16)19-23-11-12-24-19/h1-8,19H,9-13H2
InChIKeyFYEYDCGMINTBHC-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-[4-(1,3-dithian-2-yl)phenoxy]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835811
methyl 1-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]-2,3-dihydroindole-5-carboxylate
CID 55514167
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
CID 2348110

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone (CID 17446546) is 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone is O=C(COc1ccc(C2SCCS2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone?
The InChIKey is FYEYDCGMINTBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c21-18(20-10-9-14-3-1-2-4-17(14)20)13-22-16-7-5-15(6-8-16)19-23-11-12-24-19/h1-8,19H,9-13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone has a molecular weight of 357.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone is sourced from PubChem (CID 17446546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).