2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide

C26H37N5O4S — CID 18711113

About 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide

2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide (PubChem CID 18711113) has the molecular formula C26H37N5O4S and a molecular weight of 515.68 g/mol. Its IUPAC name is 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide.

Molecular Properties

• Compound Name: 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide
• PubChem CID: 18711113
• Molecular Formula: C26H37N5O4S
• Molecular Weight: 515.68 g/mol
• Exact Mass: 515.26
• IUPAC Name: 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide
• SMILES: Cc1cc(C)c(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1C
• InChI: InChI=1S/C26H37N5O4S/c1-16-12-18(3)22(13-17(16)2)36(34,35)30-20-10-8-19(9-11-20)28-29-24(33)23(32)27-21-14-25(4,5)31-26(6,7)15-21/h8-13,21,28,30-31H,14-15H2,1-7H3,(H,27,32)(H,29,33)
• InChIKey: GNNUCOKDXAVINM-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 128.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.68
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide?

The IUPAC name of 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide (CID 18711113) is 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide.

What is the SMILES notation for 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide?

The canonical SMILES for 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1C.

What is the InChIKey of 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide?

The InChIKey is GNNUCOKDXAVINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4S/c1-16-12-18(3)22(13-17(16)2)36(34,35)30-20-10-8-19(9-11-20)28-29-24(33)23(32)27-21-14-25(4,5)31-26(6,7)15-21/h8-13,21,28,30-31H,14-15H2,1-7H3,(H,27,32)(H,29,33).

What are the key properties of 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide?

2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide has a molecular weight of 515.68 g/mol, XLogP of 3.28, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[2-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenyl]hydrazinyl]acetamide is sourced from PubChem (CID 18711113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).