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

C26H33N3O5S — CID 50767851

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

2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 50767851) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide
• PubChem CID: 50767851
• Molecular Formula: C26H33N3O5S
• Molecular Weight: 499.63 g/mol
• Exact Mass: 499.21
• IUPAC Name: 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide
• SMILES: CCOc1ccccc1NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C)C3)ccc21
• InChI: InChI=1S/C26H33N3O5S/c1-5-34-23-11-7-6-10-21(23)27-24(30)17-29-22-13-12-19(15-20(22)26(3,4)25(29)31)35(32,33)28-14-8-9-18(2)16-28/h6-7,10-13,15,18H,5,8-9,14,16-17H2,1-4H3,(H,27,30)
• InChIKey: CSKOHOGZYCYXTF-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.63
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-ethoxyphenyl)acetamide?

The IUPAC name of 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 50767851) is 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide.

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

The canonical SMILES for 2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=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-ethoxyphenyl)acetamide?

The InChIKey is CSKOHOGZYCYXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-5-34-23-11-7-6-10-21(23)27-24(30)17-29-22-13-12-19(15-20(22)26(3,4)25(29)31)35(32,33)28-14-8-9-18(2)16-28/h6-7,10-13,15,18H,5,8-9,14,16-17H2,1-4H3,(H,27,30).

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

2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 499.63 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 50767851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).