N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide

C29H29N3O4S — CID 27209357

About N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide

N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide (PubChem CID 27209357) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide
• PubChem CID: 27209357
• Molecular Formula: C29H29N3O4S
• Molecular Weight: 515.64 g/mol
• Exact Mass: 515.19
• IUPAC Name: N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide
• SMILES: CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12
• InChI: InChI=1S/C29H29N3O4S/c1-20(2)32-37(35,36)27-18-10-15-23-24(27)16-9-17-25(23)30-29(34)26(19-21-11-5-3-6-12-21)31-28(33)22-13-7-4-8-14-22/h3-18,20,26,32H,19H2,1-2H3,(H,30,34)(H,31,33)/t26-/m1/s1
• InChIKey: XOPOQDBZOVZSJA-AREMUKBSSA-N
• XLogP: 4.51
• TPSA: 104.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.64
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide?

The IUPAC name of N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide (CID 27209357) is N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide.

What is the SMILES notation for N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide?

The canonical SMILES for N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide is CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)cccc12.

What is the InChIKey of N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide?

The InChIKey is XOPOQDBZOVZSJA-AREMUKBSSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-20(2)32-37(35,36)27-18-10-15-23-24(27)16-9-17-25(23)30-29(34)26(19-21-11-5-3-6-12-21)31-28(33)22-13-7-4-8-14-22/h3-18,20,26,32H,19H2,1-2H3,(H,30,34)(H,31,33)/t26-/m1/s1.

What are the key properties of N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide?

N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide has a molecular weight of 515.64 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-oxo-3-phenyl-1-[[5-(propan-2-ylsulfamoyl)naphthalen-1-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 27209357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).