3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one

C23H20N2O2S — CID 11811162

IUPAC3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc(N)c(SC2(CC(=O)c3ccccc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-18(24)21(13-15)28-23(14-20(26)16-7-3-2-4-8-16)17-9-5-6-10-19(17)25-22(23)27/h2-13H,14,24H2,1H3,(H,25,27)
InChIKeyGIKUSCYTGMSCRX-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.79
Rot. Bonds5

About 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one

3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one (PubChem CID 11811162) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one
PubChem CID11811162
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc(N)c(SC2(CC(=O)c3ccccc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-18(24)21(13-15)28-23(14-20(26)16-7-3-2-4-8-16)17-9-5-6-10-19(17)25-22(23)27/h2-13H,14,24H2,1H3,(H,25,27)
InChIKeyGIKUSCYTGMSCRX-UHFFFAOYSA-N
XLogP4.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.79
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 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one?
The IUPAC name of 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one (CID 11811162) is 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one.
What is the SMILES notation for 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one?
The canonical SMILES for 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one is Cc1ccc(N)c(SC2(CC(=O)c3ccccc3)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one?
The InChIKey is GIKUSCYTGMSCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-11-12-18(24)21(13-15)28-23(14-20(26)16-7-3-2-4-8-16)17-9-5-6-10-19(17)25-22(23)27/h2-13H,14,24H2,1H3,(H,25,27).
What are the key properties of 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one?
3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one has a molecular weight of 388.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methylphenyl)sulfanyl-3-phenacyl-1H-indol-2-one is sourced from PubChem (CID 11811162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).