4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide

C22H23N3O6S — CID 55621573

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H23N3O6S/c1-14-19(15(2)31-23-14)13-25(3)22(26)16-4-6-17(7-5-16)24-32(27,28)18-8-9-20-21(12-18)30-11-10-29-20/h4-9,12,24H,10-11,13H2,1-3H3
InChIKeyWUQOGGFNDJZSDT-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.14
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (PubChem CID 55621573) has the molecular formula C22H23N3O6S and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
PubChem CID55621573
Molecular FormulaC22H23N3O6S
Molecular Weight457.51 g/mol
Exact Mass457.13
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C22H23N3O6S/c1-14-19(15(2)31-23-14)13-25(3)22(26)16-4-6-17(7-5-16)24-32(27,28)18-8-9-20-21(12-18)30-11-10-29-20/h4-9,12,24H,10-11,13H2,1-3H3
InChIKeyWUQOGGFNDJZSDT-UHFFFAOYSA-N
XLogP3.14
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 55621572
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55641872
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-oxobutanamide
CID 55641485
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-prop-2-ynylbenzamide
CID 39737085
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 42999156
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-(cyclopropylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 46531385
N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604226
N-[(2-chlorophenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24544336
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110870133

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide (CID 55621573) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
The InChIKey is WUQOGGFNDJZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S/c1-14-19(15(2)31-23-14)13-25(3)22(26)16-4-6-17(7-5-16)24-32(27,28)18-8-9-20-21(12-18)30-11-10-29-20/h4-9,12,24H,10-11,13H2,1-3H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide has a molecular weight of 457.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55621573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).