1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone

C17H17NO2S — CID 895153

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2S/c1-21-15-8-6-14(7-9-15)20-12-17(19)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3
InChIKeyKKNZWQMNNRVQKZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone (PubChem CID 895153) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
PubChem CID895153
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
SMILESCSc1ccc(OCC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17NO2S/c1-21-15-8-6-14(7-9-15)20-12-17(19)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3
InChIKeyKKNZWQMNNRVQKZ-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
CID 17446546
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
N-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]phenyl]-N,4-dimethylbenzamide
CID 2348110
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2338035
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone (CID 895153) is 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone is CSc1ccc(OCC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone?
The InChIKey is KKNZWQMNNRVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-21-15-8-6-14(7-9-15)20-12-17(19)18-11-10-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone has a molecular weight of 299.40 g/mol, XLogP of 3.38, 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-(4-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).