N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

C24H24N2O5S — CID 55869339

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1
InChIInChI=1S/C24H24N2O5S/c1-15-9-11-18(32(28,29)26-20-8-6-5-7-16(20)2)14-19(15)23(27)25-17-10-12-21-22(13-17)31-24(3,4)30-21/h5-14,26H,1-4H3,(H,25,27)
InChIKeyMVMHZPWSQOOWGR-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.86
Rot. Bonds5

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 55869339) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID55869339
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1
InChIInChI=1S/C24H24N2O5S/c1-15-9-11-18(32(28,29)26-20-8-6-5-7-16(20)2)14-19(15)23(27)25-17-10-12-21-22(13-17)31-24(3,4)30-21/h5-14,26H,1-4H3,(H,25,27)
InChIKeyMVMHZPWSQOOWGR-UHFFFAOYSA-N
XLogP4.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55465626
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
2-methyl-5-piperidin-1-ylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280447
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
2-chloro-5-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26757457
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 26712447
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 55869339) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MVMHZPWSQOOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-15-9-11-18(32(28,29)26-20-8-6-5-7-16(20)2)14-19(15)23(27)25-17-10-12-21-22(13-17)31-24(3,4)30-21/h5-14,26H,1-4H3,(H,25,27).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 452.53 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55869339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).