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

C24H19N3O5S2 — CID 30158260

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H19N3O5S2/c28-23(26-18-5-3-17(4-6-18)24-25-11-14-33-24)16-1-7-19(8-2-16)27-34(29,30)20-9-10-21-22(15-20)32-13-12-31-21/h1-11,14-15,27H,12-13H2,(H,26,28)
InChIKeyMQQOPHNVDAZVKL-UHFFFAOYSA-N
MW493.57 g/mol
LogP4.63
Rot. Bonds6

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

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 30158260) has the molecular formula C24H19N3O5S2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID30158260
Molecular FormulaC24H19N3O5S2
Molecular Weight493.57 g/mol
Exact Mass493.08
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H19N3O5S2/c28-23(26-18-5-3-17(4-6-18)24-25-11-14-33-24)16-1-7-19(8-2-16)27-34(29,30)20-9-10-21-22(15-20)32-13-12-31-21/h1-11,14-15,27H,12-13H2,(H,26,28)
InChIKeyMQQOPHNVDAZVKL-UHFFFAOYSA-N
XLogP4.63
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide with MolForge

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Related Compounds

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
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
4-(diethylaminomethyl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]benzamide
CID 55649769
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
CID 110372177
N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-4-(dimethylamino)benzamide
CID 24571318
N-[4-(dimethylaminocarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9163812
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-8-ylbenzamide
CID 41491213
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55683934
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 35826812

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 30158260) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is MQQOPHNVDAZVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S2/c28-23(26-18-5-3-17(4-6-18)24-25-11-14-33-24)16-1-7-19(8-2-16)27-34(29,30)20-9-10-21-22(15-20)32-13-12-31-21/h1-11,14-15,27H,12-13H2,(H,26,28).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 493.57 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 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-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 30158260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).