N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

C24H23N3O6S2 — CID 25043575

About N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (PubChem CID 25043575) has the molecular formula C24H23N3O6S2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
• PubChem CID: 25043575
• Molecular Formula: C24H23N3O6S2
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.10
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)Nc4cc(C)ccc4OC)nc3c2)cc1
• InChI: InChI=1S/C24H23N3O6S2/c1-15-4-10-21(32-3)19(12-15)25-23(28)14-34-24-26-20-13-18(9-11-22(20)33-24)35(29,30)27-16-5-7-17(31-2)8-6-16/h4-13,27H,14H2,1-3H3,(H,25,28)
• InChIKey: LADADLFNBAHWBM-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 119.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (CID 25043575) is N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc3oc(SCC(=O)Nc4cc(C)ccc4OC)nc3c2)cc1.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?

The InChIKey is LADADLFNBAHWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S2/c1-15-4-10-21(32-3)19(12-15)25-23(28)14-34-24-26-20-13-18(9-11-22(20)33-24)35(29,30)27-16-5-7-17(31-2)8-6-16/h4-13,27H,14H2,1-3H3,(H,25,28).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide?

N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide has a molecular weight of 513.60 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-[[5-[(4-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 25043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).