1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone

C17H17NOS — CID 3435469

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1ccccc1
InChIInChI=1S/C17H17NOS/c1-13-11-14-7-5-6-10-16(14)18(13)17(19)12-20-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyDTDLLIWDDAEFBA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone

1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone (PubChem CID 3435469) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
PubChem CID3435469
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone
SMILESCC1Cc2ccccc2N1C(=O)CSc1ccccc1
InChIInChI=1S/C17H17NOS/c1-13-11-14-7-5-6-10-16(14)18(13)17(19)12-20-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3
InChIKeyDTDLLIWDDAEFBA-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone (CID 3435469) is 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone is CC1Cc2ccccc2N1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone?
The InChIKey is DTDLLIWDDAEFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-11-14-7-5-6-10-16(14)18(13)17(19)12-20-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone?
1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone has a molecular weight of 283.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 3435469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).