4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide

C23H27N3O6S — CID 40784148

About 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide

4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 40784148) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
• PubChem CID: 40784148
• Molecular Formula: C23H27N3O6S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.16
• IUPAC Name: 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1
• InChI: InChI=1S/C23H27N3O6S/c1-3-25(4-2)33(29,30)19-8-5-16(6-9-19)23(28)24-17-13-22(27)26(15-17)18-7-10-20-21(14-18)32-12-11-31-20/h5-10,14,17H,3-4,11-13,15H2,1-2H3,(H,24,28)/t17-/m1/s1
• InChIKey: ACBDVLLXYJMNTM-QGZVFWFLSA-N
• XLogP: 2.02
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide?

The IUPAC name of 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide (CID 40784148) is 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide.

What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide?

The canonical SMILES for 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1.

What is the InChIKey of 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide?

The InChIKey is ACBDVLLXYJMNTM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-3-25(4-2)33(29,30)19-8-5-16(6-9-19)23(28)24-17-13-22(27)26(15-17)18-7-10-20-21(14-18)32-12-11-31-20/h5-10,14,17H,3-4,11-13,15H2,1-2H3,(H,24,28)/t17-/m1/s1.

What are the key properties of 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide?

4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 40784148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).