6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one

C16H16N2O2S — CID 61290732

IUPAC6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3ccccc3OC)ccc21
InChIInChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)21-14-6-4-3-5-13(14)20-2/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyAPDTUEBEILUCHE-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.06
Rot. Bonds4

About 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one

6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 61290732) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID61290732
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3ccccc3OC)ccc21
InChIInChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)21-14-6-4-3-5-13(14)20-2/h3-9,15,17H,1-2H3,(H,18,19)
InChIKeyAPDTUEBEILUCHE-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-6-(2-methylsulfanylphenoxy)-1,3-dihydroindol-2-one
CID 63647488
6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 61296786
6-tert-butylsulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586884
3-(ethylamino)-6-(2-methylfuran-3-yl)sulfanyl-1,3-dihydroindol-2-one
CID 107780694
5-chloro-6-(2-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344351
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
6-(3-chloro-2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 116689293
3-(methylamino)-6-(3-methylcyclohexyl)sulfanyl-1,3-dihydroindol-2-one
CID 62722436
3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
CID 63370404
6-(3-chlorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369681
5-chloro-6-(2-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344349
6-(2-chloro-4-fluorophenoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 63370065

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one (CID 61290732) is 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3ccccc3OC)ccc21.
What is the InChIKey of 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is APDTUEBEILUCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-17-15-11-8-7-10(9-12(11)18-16(15)19)21-14-6-4-3-5-13(14)20-2/h3-9,15,17H,1-2H3,(H,18,19).
What are the key properties of 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61290732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).