N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

C23H24N2O5S2 — CID 29492969

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 29492969) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
• PubChem CID: 29492969
• Molecular Formula: C23H24N2O5S2
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.11
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
• SMILES: CC(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1
• InChI: InChI=1S/C23H24N2O5S2/c1-16(2)24-32(27,28)20-7-3-5-17(13-20)23(26)25(15-19-6-4-12-31-19)18-8-9-21-22(14-18)30-11-10-29-21/h3-9,12-14,16,24H,10-11,15H2,1-2H3
• InChIKey: UHMVUAGUIMYMSH-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 84.94 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	472.59
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide (CID 29492969) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?

The InChIKey is UHMVUAGUIMYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-16(2)24-32(27,28)20-7-3-5-17(13-20)23(26)25(15-19-6-4-12-31-19)18-8-9-21-22(14-18)30-11-10-29-21/h3-9,12-14,16,24H,10-11,15H2,1-2H3.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 29492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).