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

C22H33N3O4S — CID 50767842

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

N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide (PubChem CID 50767842) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide
• PubChem CID: 50767842
• Molecular Formula: C22H33N3O4S
• Molecular Weight: 435.59 g/mol
• Exact Mass: 435.22
• IUPAC Name: N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide
• SMILES: CCC(C)NC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C)C3)ccc21
• InChI: InChI=1S/C22H33N3O4S/c1-6-16(3)23-20(26)14-25-19-10-9-17(12-18(19)22(4,5)21(25)27)30(28,29)24-11-7-8-15(2)13-24/h9-10,12,15-16H,6-8,11,13-14H2,1-5H3,(H,23,26)
• InChIKey: FDSIVJPXFQMOPH-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.59
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide (CID 50767842) is N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide.

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

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

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

The InChIKey is FDSIVJPXFQMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-6-16(3)23-20(26)14-25-19-10-9-17(12-18(19)22(4,5)21(25)27)30(28,29)24-11-7-8-15(2)13-24/h9-10,12,15-16H,6-8,11,13-14H2,1-5H3,(H,23,26).

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

N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide has a molecular weight of 435.59 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 50767842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).