N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

C26H31NO5S — CID 55685821

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (PubChem CID 55685821) has the molecular formula C26H31NO5S and a molecular weight of 469.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

Molecular Properties

• Compound Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
• PubChem CID: 55685821
• Molecular Formula: C26H31NO5S
• Molecular Weight: 469.60 g/mol
• Exact Mass: 469.19
• IUPAC Name: N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
• SMILES: O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCC1(c2ccc3c(c2)OCCO3)CCCC1
• InChI: InChI=1S/C26H31NO5S/c28-25(10-15-33(29,30)22-8-6-19-4-3-5-20(19)16-22)27-18-26(11-1-2-12-26)21-7-9-23-24(17-21)32-14-13-31-23/h6-9,16-17H,1-5,10-15,18H2,(H,27,28)
• InChIKey: PPWKXESCCZAJID-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.60
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?

The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (CID 55685821) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?

The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)NCC1(c2ccc3c(c2)OCCO3)CCCC1.

What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?

The InChIKey is PPWKXESCCZAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5S/c28-25(10-15-33(29,30)22-8-6-19-4-3-5-20(19)16-22)27-18-26(11-1-2-12-26)21-7-9-23-24(17-21)32-14-13-31-23/h6-9,16-17H,1-5,10-15,18H2,(H,27,28).

What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide has a molecular weight of 469.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is sourced from PubChem (CID 55685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).