1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one

C19H19NO2S — CID 8972362

IUPAC1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
SMILESCc1ccccc1CSCC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C19H19NO2S/c1-13-5-3-4-6-15(13)11-23-12-18(21)14-7-8-17-16(9-14)10-19(22)20(17)2/h3-9H,10-12H2,1-2H3
InChIKeyMNLHFLQPSXNLEB-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.63
Rot. Bonds5

About 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one

1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one (PubChem CID 8972362) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
PubChem CID8972362
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
SMILESCc1ccccc1CSCC(=O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C19H19NO2S/c1-13-5-3-4-6-15(13)11-23-12-18(21)14-7-8-17-16(9-14)10-19(22)20(17)2/h3-9H,10-12H2,1-2H3
InChIKeyMNLHFLQPSXNLEB-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
5-[2-(2,6-dichlorophenyl)sulfanylacetyl]-1-methyl-3H-indol-2-one
CID 8575723
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
1-methyl-5-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]-3H-indol-2-one
CID 8936118
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
1-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanone
CID 62771239
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N-(1-methyl-2-oxo-3H-indol-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 41342513
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
1-methyl-5-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3H-indol-2-one
CID 8738081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one (CID 8972362) is 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one is Cc1ccccc1CSCC(=O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one?
The InChIKey is MNLHFLQPSXNLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-13-5-3-4-6-15(13)11-23-12-18(21)14-7-8-17-16(9-14)10-19(22)20(17)2/h3-9H,10-12H2,1-2H3.
What are the key properties of 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one?
1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one has a molecular weight of 325.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one is sourced from PubChem (CID 8972362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).