4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

C24H25ClN2O5S — CID 24550377

IUPAC4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cc(C)ccc3OC)ccc2Cl)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-16-5-12-22(32-4)18(13-16)15-27(2)24(28)17-6-11-21(25)23(14-17)33(29,30)26-19-7-9-20(31-3)10-8-19/h5-14,26H,15H2,1-4H3
InChIKeyIARXEWZQBTUGCD-UHFFFAOYSA-N
MW488.99 g/mol
LogP4.74
Rot. Bonds8

About 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide

4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 24550377) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID24550377
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cc(C)ccc3OC)ccc2Cl)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-16-5-12-22(32-4)18(13-16)15-27(2)24(28)17-6-11-21(25)23(14-17)33(29,30)26-19-7-9-20(31-3)10-8-19/h5-14,26H,15H2,1-4H3
InChIKeyIARXEWZQBTUGCD-UHFFFAOYSA-N
XLogP4.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134029086
4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24542587
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[(2,3-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)sulfonylamino]-N-methylbenzamide
CID 27786521
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24547957
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-(1H-benzimidazol-2-ylmethyl)-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36518051

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide (CID 24550377) is 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cc(C)ccc3OC)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is IARXEWZQBTUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-16-5-12-22(32-4)18(13-16)15-27(2)24(28)17-6-11-21(25)23(14-17)33(29,30)26-19-7-9-20(31-3)10-8-19/h5-14,26H,15H2,1-4H3.
What are the key properties of 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide?
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 488.99 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 24550377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).