3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide

C31H32N4O6S2 — CID 92853144

About 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide

3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide (PubChem CID 92853144) has the molecular formula C31H32N4O6S2 and a molecular weight of 620.75 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide.

Molecular Properties

• Compound Name: 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
• PubChem CID: 92853144
• Molecular Formula: C31H32N4O6S2
• Molecular Weight: 620.75 g/mol
• Exact Mass: 620.18
• IUPAC Name: 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
• SMILES: C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
• InChI: InChI=1S/C31H32N4O6S2/c1-23(33-31(37)25-13-11-19-29(21-25)43(40,41)35(3)27-16-8-5-9-17-27)22-32-30(36)24-12-10-18-28(20-24)42(38,39)34(2)26-14-6-4-7-15-26/h4-21,23H,22H2,1-3H3,(H,32,36)(H,33,37)/t23-/m1/s1
• InChIKey: QDHNPYYMCFSYHE-HSZRJFAPSA-N
• XLogP: 3.89
• TPSA: 132.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.75
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide?

The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide (CID 92853144) is 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide.

What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide?

The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide is C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.

What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide?

The InChIKey is QDHNPYYMCFSYHE-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H32N4O6S2/c1-23(33-31(37)25-13-11-19-29(21-25)43(40,41)35(3)27-16-8-5-9-17-27)22-32-30(36)24-12-10-18-28(20-24)42(38,39)34(2)26-14-6-4-7-15-26/h4-21,23H,22H2,1-3H3,(H,32,36)(H,33,37)/t23-/m1/s1.

What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide?

3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide has a molecular weight of 620.75 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide is sourced from PubChem (CID 92853144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).