5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one

C15H13NOS — CID 146227564

IUPAC5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(S)cc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13NOS/c1-9-2-4-12(18)8-13(9)10-3-5-14-11(6-10)7-15(17)16-14/h2-6,8,18H,7H2,1H3,(H,16,17)
InChIKeyQUYNEAHHAIRHJX-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.45
Rot. Bonds1

About 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one

5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one (PubChem CID 146227564) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
PubChem CID146227564
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(S)cc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13NOS/c1-9-2-4-12(18)8-13(9)10-3-5-14-11(6-10)7-15(17)16-14/h2-6,8,18H,7H2,1H3,(H,16,17)
InChIKeyQUYNEAHHAIRHJX-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(6-methoxy-4-methyl-3-pyridinyl)-1,3-dihydroindol-2-one
CID 58200547
6-chloro-5-(3,4-dimethylphenyl)-1,3-dihydroindol-2-one
CID 144760752
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-(2-ethyl-6-methylphenyl)-1,3-dihydroindol-2-one
CID 122662664
6-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121334626
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-(2,4,6-trichlorophenyl)-1,3-dihydroindol-2-one
CID 147482882
5-[2-methyl-3-(pyrrolidin-1-ylmethyl)phenyl]-1,3-dihydroindol-2-one
CID 162045284
2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867086
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
5-thiophen-2-yl-1,3-dihydroindol-2-one
CID 16637508

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one (CID 146227564) is 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one is Cc1ccc(S)cc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one?
The InChIKey is QUYNEAHHAIRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-9-2-4-12(18)8-13(9)10-3-5-14-11(6-10)7-15(17)16-14/h2-6,8,18H,7H2,1H3,(H,16,17).
What are the key properties of 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one?
5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one has a molecular weight of 255.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-sulfanylphenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 146227564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).