6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide

C23H28N2O5S — CID 24560482

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc21
InChIInChI=1S/C23H28N2O5S/c26-23(25-20-11-9-17-6-3-4-7-19(17)20)8-2-1-5-13-24-31(27,28)18-10-12-21-22(16-18)30-15-14-29-21/h3-4,6-7,10,12,16,20,24H,1-2,5,8-9,11,13-15H2,(H,25,26)
InChIKeyPNLGFHLMWVHIAL-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.10
Rot. Bonds9

About 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide (PubChem CID 24560482) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
PubChem CID24560482
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc21
InChIInChI=1S/C23H28N2O5S/c26-23(25-20-11-9-17-6-3-4-7-19(17)20)8-2-1-5-13-24-31(27,28)18-10-12-21-22(16-18)30-15-14-29-21/h3-4,6-7,10,12,16,20,24H,1-2,5,8-9,11,13-15H2,(H,25,26)
InChIKeyPNLGFHLMWVHIAL-UHFFFAOYSA-N
XLogP3.10
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
CID 55349403
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylhexanamide
CID 55540063
N-[3-(cyclohexylamino)-3-oxopropyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55952589
N-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 30780673
N-(3-aminobutyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 119499319
N-[3-[cyclohexyl(methyl)amino]propyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55827567
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,3-thiazol-2-yl)hexanamide
CID 17435477
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685
N-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346133
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide (CID 24560482) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide is O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide?
The InChIKey is PNLGFHLMWVHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c26-23(25-20-11-9-17-6-3-4-7-19(17)20)8-2-1-5-13-24-31(27,28)18-10-12-21-22(16-18)30-15-14-29-21/h3-4,6-7,10,12,16,20,24H,1-2,5,8-9,11,13-15H2,(H,25,26).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide?
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide has a molecular weight of 444.55 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)hexanamide is sourced from PubChem (CID 24560482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).