2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide

C34H36N4O4S — CID 66998301

About 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide

2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide (PubChem CID 66998301) has the molecular formula C34H36N4O4S and a molecular weight of 596.75 g/mol. Its IUPAC name is 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
• PubChem CID: 66998301
• Molecular Formula: C34H36N4O4S
• Molecular Weight: 596.75 g/mol
• Exact Mass: 596.25
• IUPAC Name: 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3C[C@H](c4ccccc4)CN3)CC2)c2ccccc12
• InChI: InChI=1S/C34H36N4O4S/c1-23-9-5-6-12-27(23)33(39)36-30-15-16-32(29-14-8-7-13-28(29)30)43(41,42)37-26-17-19-38(20-18-26)34(40)31-21-25(22-35-31)24-10-3-2-4-11-24/h2-16,25-26,31,35,37H,17-22H2,1H3,(H,36,39)/t25-,31-/m0/s1
• InChIKey: ISFFZCHXTYLYLM-FKAPRUDGSA-N
• XLogP: 4.82
• TPSA: 107.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.75
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?

The IUPAC name of 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide (CID 66998301) is 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide.

What is the SMILES notation for 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?

The canonical SMILES for 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3C[C@H](c4ccccc4)CN3)CC2)c2ccccc12.

What is the InChIKey of 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?

The InChIKey is ISFFZCHXTYLYLM-FKAPRUDGSA-N. The full InChI is InChI=1S/C34H36N4O4S/c1-23-9-5-6-12-27(23)33(39)36-30-15-16-32(29-14-8-7-13-28(29)30)43(41,42)37-26-17-19-38(20-18-26)34(40)31-21-25(22-35-31)24-10-3-2-4-11-24/h2-16,25-26,31,35,37H,17-22H2,1H3,(H,36,39)/t25-,31-/m0/s1.

What are the key properties of 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?

2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide has a molecular weight of 596.75 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 66998301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).