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

C15H14N2O2S — CID 61298165

IUPAC5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCOc1ccccc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H14N2O2S/c1-19-12-4-2-3-5-13(12)20-14-8-11-9(6-10(14)16)7-15(18)17-11/h2-6,8H,7,16H2,1H3,(H,17,18)
InChIKeySQDQPJQZODLIST-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one

5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 61298165) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID61298165
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one
SMILESCOc1ccccc1Sc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C15H14N2O2S/c1-19-12-4-2-3-5-13(12)20-14-8-11-9(6-10(14)16)7-15(18)17-11/h2-6,8H,7,16H2,1H3,(H,17,18)
InChIKeySQDQPJQZODLIST-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one (CID 61298165) is 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one is COc1ccccc1Sc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is SQDQPJQZODLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-19-12-4-2-3-5-13(12)20-14-8-11-9(6-10(14)16)7-15(18)17-11/h2-6,8H,7,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one?
5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 286.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methoxyphenyl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 61298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).