3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide

C22H26N2O5S — CID 30825290

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H26N2O5S/c25-22(23-18-6-2-3-7-19(18)24-11-4-1-5-12-24)10-15-30(26,27)17-8-9-20-21(16-17)29-14-13-28-20/h2-3,6-9,16H,1,4-5,10-15H2,(H,23,25)
InChIKeyLHLSBMARSVQKJI-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.25
Rot. Bonds6

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide (PubChem CID 30825290) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide
PubChem CID30825290
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H26N2O5S/c25-22(23-18-6-2-3-7-19(18)24-11-4-1-5-12-24)10-15-30(26,27)17-8-9-20-21(16-17)29-14-13-28-20/h2-3,6-9,16H,1,4-5,10-15H2,(H,23,25)
InChIKeyLHLSBMARSVQKJI-UHFFFAOYSA-N
XLogP3.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide (CID 30825290) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide?
The InChIKey is LHLSBMARSVQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c25-22(23-18-6-2-3-7-19(18)24-11-4-1-5-12-24)10-15-30(26,27)17-8-9-20-21(16-17)29-14-13-28-20/h2-3,6-9,16H,1,4-5,10-15H2,(H,23,25).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide has a molecular weight of 430.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 30825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).