N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide

C25H26N2O6S — CID 55347530

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3COc4ccccc4O3)c2)cc1
InChIInChI=1S/C25H26N2O6S/c1-17-8-13-21(34(29,30)26-18-9-11-19(31-3)12-10-18)14-22(17)25(28)27(2)15-20-16-32-23-6-4-5-7-24(23)33-20/h4-14,20,26H,15-16H2,1-3H3
InChIKeyKYFCMXMUCDZWBZ-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.72
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide (PubChem CID 55347530) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide
PubChem CID55347530
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3COc4ccccc4O3)c2)cc1
InChIInChI=1S/C25H26N2O6S/c1-17-8-13-21(34(29,30)26-18-9-11-19(31-3)12-10-18)14-22(17)25(28)27(2)15-20-16-32-23-6-4-5-7-24(23)33-20/h4-14,20,26H,15-16H2,1-3H3
InChIKeyKYFCMXMUCDZWBZ-UHFFFAOYSA-N
XLogP3.72
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide with MolForge

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-methoxyphenyl)-1-methylthiourea
CID 2460183
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30795639
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
2-[[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817257
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]urea
CID 36509968
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide (CID 55347530) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)CC3COc4ccccc4O3)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide?
The InChIKey is KYFCMXMUCDZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-17-8-13-21(34(29,30)26-18-9-11-19(31-3)12-10-18)14-22(17)25(28)27(2)15-20-16-32-23-6-4-5-7-24(23)33-20/h4-14,20,26H,15-16H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide has a molecular weight of 482.56 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-[(4-methoxyphenyl)sulfamoyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 55347530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).