[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

C33H26N2O7S — CID 2543889

About [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (PubChem CID 2543889) has the molecular formula C33H26N2O7S and a molecular weight of 594.65 g/mol. Its IUPAC name is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.

Molecular Properties

• Compound Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
• PubChem CID: 2543889
• Molecular Formula: C33H26N2O7S
• Molecular Weight: 594.65 g/mol
• Exact Mass: 594.15
• IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
• SMILES: COc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc3cccc4ccccc34)c1)oc1ccccc12
• InChI: InChI=1S/C33H26N2O7S/c1-20(32(36)34-27-15-8-10-21-9-3-4-13-24(21)27)41-33(37)22-11-7-12-23(17-22)43(38,39)35-28-19-30-26(18-31(28)40-2)25-14-5-6-16-29(25)42-30/h3-20,35H,1-2H3,(H,34,36)/t20-/m1/s1
• InChIKey: WWWIINBPRXPFEF-HXUWFJFHSA-N
• XLogP: 6.73
• TPSA: 123.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.65
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?

The IUPAC name of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (CID 2543889) is [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.

What is the SMILES notation for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?

The canonical SMILES for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is COc1cc2c(cc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc3cccc4ccccc34)c1)oc1ccccc12.

What is the InChIKey of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?

The InChIKey is WWWIINBPRXPFEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C33H26N2O7S/c1-20(32(36)34-27-15-8-10-21-9-3-4-13-24(21)27)41-33(37)22-11-7-12-23(17-22)43(38,39)35-28-19-30-26(18-31(28)40-2)25-14-5-6-16-29(25)42-30/h3-20,35H,1-2H3,(H,34,36)/t20-/m1/s1.

What are the key properties of [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?

[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate has a molecular weight of 594.65 g/mol, XLogP of 6.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 2543889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).