methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C23H22N2O8S — CID 43069695

IUPACmethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N2O8S/c1-13-20(23(27)30-3)21(14(2)33-13)34(28,29)25-17-7-5-4-6-16(17)22(26)24-15-8-9-18-19(12-15)32-11-10-31-18/h4-9,12,25H,10-11H2,1-3H3,(H,24,26)
InChIKeyLNIOKLYOYRMXPG-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.51
Rot. Bonds6

About methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 43069695) has the molecular formula C23H22N2O8S and a molecular weight of 486.50 g/mol. Its IUPAC name is methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID43069695
Molecular FormulaC23H22N2O8S
Molecular Weight486.50 g/mol
Exact Mass486.11
IUPAC Namemethyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H22N2O8S/c1-13-20(23(27)30-3)21(14(2)33-13)34(28,29)25-17-7-5-4-6-16(17)22(26)24-15-8-9-18-19(12-15)32-11-10-31-18/h4-9,12,25H,10-11H2,1-3H3,(H,24,26)
InChIKeyLNIOKLYOYRMXPG-UHFFFAOYSA-N
XLogP3.51
TPSA133.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate with MolForge

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Related Compounds

methyl 2,5-dimethyl-4-[[2-(phenylcarbamoyl)phenyl]sulfamoyl]furan-3-carboxylate
CID 43069694
methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 31701349
methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069696
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]benzamide
CID 24502130
5-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoyl]amino]-2-fluorobenzamide
CID 55618964
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257841
methyl 4-(1,2-dihydroacenaphthylen-5-ylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
CID 112822553

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 43069695) is methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is LNIOKLYOYRMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O8S/c1-13-20(23(27)30-3)21(14(2)33-13)34(28,29)25-17-7-5-4-6-16(17)22(26)24-15-8-9-18-19(12-15)32-11-10-31-18/h4-9,12,25H,10-11H2,1-3H3,(H,24,26).
What are the key properties of methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 486.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 43069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).