2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C26H27N3O5S2 — CID 16533327

About 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 16533327) has the molecular formula C26H27N3O5S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• PubChem CID: 16533327
• Molecular Formula: C26H27N3O5S2
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.14
• IUPAC Name: 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
• SMILES: COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3c(C)cccc3C(C)C)nc2c1
• InChI: InChI=1S/C26H27N3O5S2/c1-16(2)19-9-7-8-17(3)25(19)28-24(30)15-35-26-27-21-14-18(12-13-23(21)34-26)36(31,32)29-20-10-5-6-11-22(20)33-4/h5-14,16,29H,15H2,1-4H3,(H,28,30)
• InChIKey: ANVVTGGORADXGI-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 110.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 16533327) is 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3c(C)cccc3C(C)C)nc2c1.

What is the InChIKey of 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

The InChIKey is ANVVTGGORADXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S2/c1-16(2)19-9-7-8-17(3)25(19)28-24(30)15-35-26-27-21-14-18(12-13-23(21)34-26)36(31,32)29-20-10-5-6-11-22(20)33-4/h5-14,16,29H,15H2,1-4H3,(H,28,30).

What are the key properties of 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?

2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 525.65 g/mol, XLogP of 5.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 16533327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).