[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

C26H21N5O6S — CID 25045429

About [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate

[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (PubChem CID 25045429) has the molecular formula C26H21N5O6S and a molecular weight of 531.55 g/mol. Its IUPAC name is [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

Molecular Properties

• Compound Name: [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
• PubChem CID: 25045429
• Molecular Formula: C26H21N5O6S
• Molecular Weight: 531.55 g/mol
• Exact Mass: 531.12
• IUPAC Name: [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
• SMILES: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3ccccc3-c3nc4ccccc4[nH]3)cc2)no1
• InChI: InChI=1S/C26H21N5O6S/c1-16-14-23(30-37-16)31-38(34,35)18-12-10-17(11-13-18)27-24(32)15-36-26(33)20-7-3-2-6-19(20)25-28-21-8-4-5-9-22(21)29-25/h2-14H,15H2,1H3,(H,27,32)(H,28,29)(H,30,31)
• InChIKey: HGPSGRMCUDEKHA-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 156.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.55
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The IUPAC name of [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate (CID 25045429) is [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate.

What is the SMILES notation for [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The canonical SMILES for [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3ccccc3-c3nc4ccccc4[nH]3)cc2)no1.

What is the InChIKey of [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

The InChIKey is HGPSGRMCUDEKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O6S/c1-16-14-23(30-37-16)31-38(34,35)18-12-10-17(11-13-18)27-24(32)15-36-26(33)20-7-3-2-6-19(20)25-28-21-8-4-5-9-22(21)29-25/h2-14H,15H2,1H3,(H,27,32)(H,28,29)(H,30,31).

What are the key properties of [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate?

[2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate has a molecular weight of 531.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate is sourced from PubChem (CID 25045429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).