2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide

C25H31N3O4S — CID 50767803

About 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide

2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 50767803) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 50767803
• Molecular Formula: C25H31N3O4S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.20
• IUPAC Name: 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C)C3)ccc21
• InChI: InChI=1S/C25H31N3O4S/c1-17-8-7-13-27(15-17)33(31,32)19-11-12-22-20(14-19)25(3,4)24(30)28(22)16-23(29)26-21-10-6-5-9-18(21)2/h5-6,9-12,14,17H,7-8,13,15-16H2,1-4H3,(H,26,29)
• InChIKey: FNYPZTRSOMSOCI-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide (CID 50767803) is 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C)C3)ccc21.

What is the InChIKey of 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is FNYPZTRSOMSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-17-8-7-13-27(15-17)33(31,32)19-11-12-22-20(14-19)25(3,4)24(30)28(22)16-23(29)26-21-10-6-5-9-18(21)2/h5-6,9-12,14,17H,7-8,13,15-16H2,1-4H3,(H,26,29).

What are the key properties of 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide?

2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 50767803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).