4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C24H24Cl2N2O5S — CID 100500514

IUPAC4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H24Cl2N2O5S/c1-32-22-11-6-17(12-23(22)33-2)14-27-24(29)18-7-4-16(5-8-18)15-28(34(3,30)31)19-9-10-20(25)21(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyRJPDGCNPUNXTDR-UHFFFAOYSA-N
MW523.44 g/mol
LogP4.91
Rot. Bonds9

About 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 100500514) has the molecular formula C24H24Cl2N2O5S and a molecular weight of 523.44 g/mol. Its IUPAC name is 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID100500514
Molecular FormulaC24H24Cl2N2O5S
Molecular Weight523.44 g/mol
Exact Mass522.08
IUPAC Name4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1OC
InChIInChI=1S/C24H24Cl2N2O5S/c1-32-22-11-6-17(12-23(22)33-2)14-27-24(29)18-7-4-16(5-8-18)15-28(34(3,30)31)19-9-10-20(25)21(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyRJPDGCNPUNXTDR-UHFFFAOYSA-N
XLogP4.91
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide 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

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
N-[(4-chlorophenyl)methyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 1107896
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100500616
N-[(4-chlorophenyl)methyl]-4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]benzamide
CID 53287248
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[3-(methoxymethyl)phenyl]benzamide
CID 100500590
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43877159
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53282579
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 100500514) is 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)cc1OC.
What is the InChIKey of 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is RJPDGCNPUNXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O5S/c1-32-22-11-6-17(12-23(22)33-2)14-27-24(29)18-7-4-16(5-8-18)15-28(34(3,30)31)19-9-10-20(25)21(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,29).
What are the key properties of 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 523.44 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 100500514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).