2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C23H19FN2O3S — CID 53144173

IUPAC2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)C(O)(c3cccc(F)c3)c3ccccc32)c1
InChIInChI=1S/C23H19FN2O3S/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyJLIWWRYFSLAYKQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.77
Rot. Bonds5

About 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 53144173) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID53144173
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN2C(=O)C(O)(c3cccc(F)c3)c3ccccc32)c1
InChIInChI=1S/C23H19FN2O3S/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27)
InChIKeyJLIWWRYFSLAYKQ-UHFFFAOYSA-N
XLogP3.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 53144173) is 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN2C(=O)C(O)(c3cccc(F)c3)c3ccccc32)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is JLIWWRYFSLAYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-30-18-9-5-8-17(13-18)25-21(27)14-26-20-11-3-2-10-19(20)23(29,22(26)28)15-6-4-7-16(24)12-15/h2-13,29H,14H2,1H3,(H,25,27).
What are the key properties of 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 422.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-3-hydroxy-2-oxoindol-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 53144173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).