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

C21H23N3O6S2 — CID 41254514

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

2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 41254514) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• PubChem CID: 41254514
• Molecular Formula: C21H23N3O6S2
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.10
• IUPAC Name: 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
• SMILES: COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NC[C@H]3CCCO3)nc2c1
• InChI: InChI=1S/C21H23N3O6S2/c1-28-18-7-3-2-6-16(18)24-32(26,27)15-8-9-19-17(11-15)23-21(30-19)31-13-20(25)22-12-14-5-4-10-29-14/h2-3,6-9,11,14,24H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m1/s1
• InChIKey: PJYDLPMPFRFYHI-CQSZACIVSA-N
• XLogP: 3.02
• TPSA: 119.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 41254514) is 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

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

The canonical SMILES for 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)NC[C@H]3CCCO3)nc2c1.

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

The InChIKey is PJYDLPMPFRFYHI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-28-18-7-3-2-6-16(18)24-32(26,27)15-8-9-19-17(11-15)23-21(30-19)31-13-20(25)22-12-14-5-4-10-29-14/h2-3,6-9,11,14,24H,4-5,10,12-13H2,1H3,(H,22,25)/t14-/m1/s1.

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

2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 477.56 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[(2-methoxyphenyl)sulfamoyl]-1,3-benzoxazol-2-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41254514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).