N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C23H32N4O4S — CID 55709763

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55709763) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 55709763
• Molecular Formula: C23H32N4O4S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.21
• IUPAC Name: N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: CC1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2)CC(C)O1
• InChI: InChI=1S/C23H32N4O4S/c1-16(2)26(5)32(29,30)21-8-6-7-20(11-21)23(28)25-13-19-9-10-22(24-12-19)27-14-17(3)31-18(4)15-27/h6-12,16-18H,13-15H2,1-5H3,(H,25,28)
• InChIKey: XJBIVLHHHAVKAP-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55709763) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)cn2)CC(C)O1.

What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

The InChIKey is XJBIVLHHHAVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-16(2)26(5)32(29,30)21-8-6-7-20(11-21)23(28)25-13-19-9-10-22(24-12-19)27-14-17(3)31-18(4)15-27/h6-12,16-18H,13-15H2,1-5H3,(H,25,28).

What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide?

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 460.60 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55709763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).