N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

C23H26N4O6S — CID 22109680

About N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (PubChem CID 22109680) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
• PubChem CID: 22109680
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
• SMILES: COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3cc(C)on3)ccc2N2CCCC2)cc1
• InChI: InChI=1S/C23H26N4O6S/c1-16-13-23(25-33-16)32-15-22(28)24-18-7-10-20(27-11-3-4-12-27)21(14-18)34(29,30)26-17-5-8-19(31-2)9-6-17/h5-10,13-14,26H,3-4,11-12,15H2,1-2H3,(H,24,28)
• InChIKey: UTMVGQCKEZVBEU-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 123.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?

The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide (CID 22109680) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide.

What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?

The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3cc(C)on3)ccc2N2CCCC2)cc1.

What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?

The InChIKey is UTMVGQCKEZVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-16-13-23(25-33-16)32-15-22(28)24-18-7-10-20(27-11-3-4-12-27)21(14-18)34(29,30)26-17-5-8-19(31-2)9-6-17/h5-10,13-14,26H,3-4,11-12,15H2,1-2H3,(H,24,28).

What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide?

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide has a molecular weight of 486.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide is sourced from PubChem (CID 22109680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).