2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide

C24H26N4O4S — CID 10073229

About 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide

2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 10073229) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
• PubChem CID: 10073229
• Molecular Formula: C24H26N4O4S
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.17
• IUPAC Name: 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
• SMILES: CC/N=C(\C(=O)N(Cc1cccc(C)n1)c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C
• InChI: InChI=1S/C24H26N4O4S/c1-5-25-23(33(30,31)21-12-7-6-9-17(21)2)24(29)28(16-19-11-8-10-18(3)27-19)20-13-14-22(32-4)26-15-20/h6-15H,5,16H2,1-4H3/b25-23+
• InChIKey: HMBHPMKJTNEMKE-WJTDDFOZSA-N
• XLogP: 3.53
• TPSA: 101.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The IUPAC name of 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide (CID 10073229) is 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide.

What is the SMILES notation for 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The canonical SMILES for 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide is CC/N=C(\C(=O)N(Cc1cccc(C)n1)c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C.

What is the InChIKey of 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The InChIKey is HMBHPMKJTNEMKE-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-5-25-23(33(30,31)21-12-7-6-9-17(21)2)24(29)28(16-19-11-8-10-18(3)27-19)20-13-14-22(32-4)26-15-20/h6-15H,5,16H2,1-4H3/b25-23+.

What are the key properties of 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 466.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethylimino-N-(6-methoxy-3-pyridinyl)-2-(2-methylphenyl)sulfonyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10073229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).