2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

C22H26N2O5S — CID 125081310

About 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide

2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (PubChem CID 125081310) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
• PubChem CID: 125081310
• Molecular Formula: C22H26N2O5S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
• SMILES: CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C22H26N2O5S/c1-3-30(26,27)24(19-9-10-20-21(12-19)29-14-28-20)13-22(25)23-15(2)17-8-7-16-5-4-6-18(16)11-17/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1
• InChIKey: IWXZBGJLHVLJLI-OAHLLOKOSA-N
• XLogP: 2.94
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The IUPAC name of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide (CID 125081310) is 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide.

What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The canonical SMILES for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)c1ccc2c(c1)OCO2.

What is the InChIKey of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

The InChIKey is IWXZBGJLHVLJLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-30(26,27)24(19-9-10-20-21(12-19)29-14-28-20)13-22(25)23-15(2)17-8-7-16-5-4-6-18(16)11-17/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1.

What are the key properties of 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide?

2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide is sourced from PubChem (CID 125081310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).