2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C24H21N3O6S2 — CID 3432059

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1
InChIInChI=1S/C24H21N3O6S2/c1-2-31-15-7-9-19-22(13-15)34-24(25-19)26-23(28)17-5-3-4-6-18(17)27-35(29,30)16-8-10-20-21(14-16)33-12-11-32-20/h3-10,13-14,27H,2,11-12H2,1H3,(H,25,26,28)
InChIKeyMOAZSEUYEMWSCZ-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.52
Rot. Bonds7

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 3432059) has the molecular formula C24H21N3O6S2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID3432059
Molecular FormulaC24H21N3O6S2
Molecular Weight511.58 g/mol
Exact Mass511.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1
InChIInChI=1S/C24H21N3O6S2/c1-2-31-15-7-9-19-22(13-15)34-24(25-19)26-23(28)17-5-3-4-6-18(17)27-35(29,30)16-8-10-20-21(14-16)33-12-11-32-20/h3-10,13-14,27H,2,11-12H2,1H3,(H,25,26,28)
InChIKeyMOAZSEUYEMWSCZ-UHFFFAOYSA-N
XLogP4.52
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 42889912
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 5123894
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2117790
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 35993606
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 3432059) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MOAZSEUYEMWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S2/c1-2-31-15-7-9-19-22(13-15)34-24(25-19)26-23(28)17-5-3-4-6-18(17)27-35(29,30)16-8-10-20-21(14-16)33-12-11-32-20/h3-10,13-14,27H,2,11-12H2,1H3,(H,25,26,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 511.58 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 3432059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).