2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H27N3O6S — CID 3206879

About 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3206879) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• PubChem CID: 3206879
• Molecular Formula: C22H27N3O6S
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.16
• IUPAC Name: 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• SMILES: CC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H27N3O6S/c1-22(2,3)24-20(26)15-25(16-9-10-18-19(13-16)31-12-11-30-18)21(27)14-23-32(28,29)17-7-5-4-6-8-17/h4-10,13,23H,11-12,14-15H2,1-3H3,(H,24,26)
• InChIKey: DSLKFJRSNAHDTF-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The IUPAC name of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3206879) is 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(C)(C)NC(=O)CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2.

What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The InChIKey is DSLKFJRSNAHDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-22(2,3)24-20(26)15-25(16-9-10-18-19(13-16)31-12-11-30-18)21(27)14-23-32(28,29)17-7-5-4-6-8-17/h4-10,13,23H,11-12,14-15H2,1-3H3,(H,24,26).

What are the key properties of 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 461.54 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonamido)-N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3206879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).