N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide

C25H26N2O5S — CID 42999156

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-4-8-20(9-5-17)26-33(29,30)21-10-6-18(2)22(15-21)25(28)27(3)16-19-7-11-23-24(14-19)32-13-12-31-23/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyTUFTVWJPKGHLTC-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.15
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 42999156) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID42999156
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c2)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-4-8-20(9-5-17)26-33(29,30)21-10-6-18(2)22(15-21)25(28)27(3)16-19-7-11-23-24(14-19)32-13-12-31-23/h4-11,14-15,26H,12-13,16H2,1-3H3
InChIKeyTUFTVWJPKGHLTC-UHFFFAOYSA-N
XLogP4.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 55535046
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 17497543
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 46653296
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 2407774
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 55621573
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-methylsulfonylbenzamide
CID 34763907
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide (CID 42999156) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccc4c(c3)OCCO4)c2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is TUFTVWJPKGHLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-17-4-8-20(9-5-17)26-33(29,30)21-10-6-18(2)22(15-21)25(28)27(3)16-19-7-11-23-24(14-19)32-13-12-31-23/h4-11,14-15,26H,12-13,16H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42999156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).