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

C24H30N2O5S — CID 55349403

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc2C1
InChIInChI=1S/C24H30N2O5S/c27-24(26-20-10-9-18-6-3-4-7-19(18)16-20)8-2-1-5-13-25-32(28,29)21-11-12-22-23(17-21)31-15-14-30-22/h3-4,6-7,11-12,17,20,25H,1-2,5,8-10,13-16H2,(H,26,27)
InChIKeyXKXTVMUILCETFX-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.97
Rot. Bonds9

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

6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide (PubChem CID 55349403) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
PubChem CID55349403
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide
SMILESO=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc2C1
InChIInChI=1S/C24H30N2O5S/c27-24(26-20-10-9-18-6-3-4-7-19(18)16-20)8-2-1-5-13-25-32(28,29)21-11-12-22-23(17-21)31-15-14-30-22/h3-4,6-7,11-12,17,20,25H,1-2,5,8-10,13-16H2,(H,26,27)
InChIKeyXKXTVMUILCETFX-UHFFFAOYSA-N
XLogP2.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.97
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-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 24560482
N-[3-(cyclohexylamino)-3-oxopropyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55952589
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylhexanamide
CID 55540063
N-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 30780673
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528
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
N-[6-(4-methylpiperazin-1-yl)-6-oxohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346133
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]hexanamide
CID 30381788
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-methylpyrazol-3-yl)hexanamide
CID 24627340
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,3-thiazol-2-yl)hexanamide
CID 17435477
N-[6-(2,6-dimethylmorpholin-4-yl)-6-oxohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43002690

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide (CID 55349403) is 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide is O=C(CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NC1CCc2ccccc2C1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
The InChIKey is XKXTVMUILCETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c27-24(26-20-10-9-18-6-3-4-7-19(18)16-20)8-2-1-5-13-25-32(28,29)21-11-12-22-23(17-21)31-15-14-30-22/h3-4,6-7,11-12,17,20,25H,1-2,5,8-10,13-16H2,(H,26,27).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide?
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide has a molecular weight of 458.58 g/mol, XLogP of 2.97, 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-(1,2,3,4-tetrahydronaphthalen-2-yl)hexanamide is sourced from PubChem (CID 55349403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).