4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

C24H20N4O6S — CID 55964358

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H20N4O6S/c1-15-2-3-17(24-27-25-14-34-24)12-20(15)26-23(29)16-4-6-18(7-5-16)28-35(30,31)19-8-9-21-22(13-19)33-11-10-32-21/h2-9,12-14,28H,10-11H2,1H3,(H,26,29)
InChIKeySHGPFQIUGTWXLI-UHFFFAOYSA-N
MW492.51 g/mol
LogP3.87
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 55964358) has the molecular formula C24H20N4O6S and a molecular weight of 492.51 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID55964358
Molecular FormulaC24H20N4O6S
Molecular Weight492.51 g/mol
Exact Mass492.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H20N4O6S/c1-15-2-3-17(24-27-25-14-34-24)12-20(15)26-23(29)16-4-6-18(7-5-16)28-35(30,31)19-8-9-21-22(13-19)33-11-10-32-21/h2-9,12-14,28H,10-11H2,1H3,(H,26,29)
InChIKeySHGPFQIUGTWXLI-UHFFFAOYSA-N
XLogP3.87
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55965254
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731590
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 42153471
5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzene-1,3-dicarboxamide
CID 2113497
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]prop-2-enamide
CID 87045571
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 35826812
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-ethylphenyl)benzamide
CID 37335411
2-chloro-4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]benzamide
CID 55641489
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 30158260
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55992119
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 55964358) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is SHGPFQIUGTWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6S/c1-15-2-3-17(24-27-25-14-34-24)12-20(15)26-23(29)16-4-6-18(7-5-16)28-35(30,31)19-8-9-21-22(13-19)33-11-10-32-21/h2-9,12-14,28H,10-11H2,1H3,(H,26,29).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 492.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 55964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).