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

C29H23N3O6S2 — CID 25039293

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

N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (PubChem CID 25039293) has the molecular formula C29H23N3O6S2 and a molecular weight of 573.65 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
• PubChem CID: 25039293
• Molecular Formula: C29H23N3O6S2
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.10
• IUPAC Name: N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3C(=O)c3ccccc3)nc2c1
• InChI: InChI=1S/C29H23N3O6S2/c1-37-25-14-8-7-13-23(25)32-40(35,36)20-15-16-26-24(17-20)31-29(38-26)39-18-27(33)30-22-12-6-5-11-21(22)28(34)19-9-3-2-4-10-19/h2-17,32H,18H2,1H3,(H,30,33)
• InChIKey: DVOUADAWVXRJBW-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 127.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide (CID 25039293) is N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3C(=O)c3ccccc3)nc2c1.

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

The InChIKey is DVOUADAWVXRJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O6S2/c1-37-25-14-8-7-13-23(25)32-40(35,36)20-15-16-26-24(17-20)31-29(38-26)39-18-27(33)30-22-12-6-5-11-21(22)28(34)19-9-3-2-4-10-19/h2-17,32H,18H2,1H3,(H,30,33).

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

N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide has a molecular weight of 573.65 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoylphenyl)-2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 25039293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).