2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C25H25F3N4O5S — CID 22405460

About 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 22405460) has the molecular formula C25H25F3N4O5S and a molecular weight of 550.56 g/mol. Its IUPAC name is 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
• PubChem CID: 22405460
• Molecular Formula: C25H25F3N4O5S
• Molecular Weight: 550.56 g/mol
• Exact Mass: 550.15
• IUPAC Name: 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
• SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2cccc(N)c2)c1=O)C(=O)C(F)(F)F
• InChI: InChI=1S/C25H25F3N4O5S/c1-15(2)22(23(34)25(26,27)28)30-21(33)14-32-20(16-7-4-3-5-8-16)12-11-19(24(32)35)31-38(36,37)18-10-6-9-17(29)13-18/h3-13,15,22,31H,14,29H2,1-2H3,(H,30,33)
• InChIKey: SKORMNIEPMBPOG-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 140.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.56
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The IUPAC name of 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 22405460) is 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

What is the SMILES notation for 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The canonical SMILES for 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2cccc(N)c2)c1=O)C(=O)C(F)(F)F.

What is the InChIKey of 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

The InChIKey is SKORMNIEPMBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O5S/c1-15(2)22(23(34)25(26,27)28)30-21(33)14-32-20(16-7-4-3-5-8-16)12-11-19(24(32)35)31-38(36,37)18-10-6-9-17(29)13-18/h3-13,15,22,31H,14,29H2,1-2H3,(H,30,33).

What are the key properties of 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?

2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 550.56 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3-aminophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 22405460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).