N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide

C24H24N2O6S — CID 57385283

IUPACN-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C24H24N2O6S/c1-15-4-5-16(2)18(10-15)13-30-22-12-19(7-8-20(22)26-33(3,28)29)25-24(27)17-6-9-21-23(11-17)32-14-31-21/h4-12,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyXGZJGLWLKPMMPC-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.23
Rot. Bonds7

About N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide

N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 57385283) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID57385283
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC NameN-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2NS(C)(=O)=O)c1
InChIInChI=1S/C24H24N2O6S/c1-15-4-5-16(2)18(10-15)13-30-22-12-19(7-8-20(22)26-33(3,28)29)25-24(27)17-6-9-21-23(11-17)32-14-31-21/h4-12,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyXGZJGLWLKPMMPC-UHFFFAOYSA-N
XLogP4.23
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2,5-dimethylphenyl)methoxy]-4-[6-hydroxyhexyl(methylsulfonyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 57385284
N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-ethylbenzamide
CID 56969934
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-[5-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]-2-chlorophenyl]methanesulfonamide
CID 49014753
N-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109162602
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
CID 71747455
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide (CID 57385283) is N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XGZJGLWLKPMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-15-4-5-16(2)18(10-15)13-30-22-12-19(7-8-20(22)26-33(3,28)29)25-24(27)17-6-9-21-23(11-17)32-14-31-21/h4-12,26H,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dimethylphenyl)methoxy]-4-(methanesulfonamido)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 57385283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).