5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one

C17H15NO2S — CID 137349604

IUPAC5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(SCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO2S/c1-11-2-5-14(6-3-11)21-10-16(19)12-4-7-15-13(8-12)9-17(20)18-15/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyRXONTIZYFOQKAA-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.46
Rot. Bonds4

About 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one

5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one (PubChem CID 137349604) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
PubChem CID137349604
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(SCC(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIInChI=1S/C17H15NO2S/c1-11-2-5-14(6-3-11)21-10-16(19)12-4-7-15-13(8-12)9-17(20)18-15/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyRXONTIZYFOQKAA-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
5-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-1,3-dihydroindol-2-one
CID 9484477
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-(3,5-dimethylphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344873
5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
CID 8023058
1-(4-methylpiperazin-1-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butane-1,4-dione
CID 110344805
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-[2-(4-fluorophenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338576
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
6-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 17447988
5-[2-(4-methoxyphenyl)acetyl]-1,3-dihydroindol-2-one
CID 43338604

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one (CID 137349604) is 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one is Cc1ccc(SCC(=O)c2ccc3c(c2)CC(=O)N3)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one?
The InChIKey is RXONTIZYFOQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-11-2-5-14(6-3-11)21-10-16(19)12-4-7-15-13(8-12)9-17(20)18-15/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one?
5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one has a molecular weight of 297.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)sulfanylacetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 137349604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).