N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

C25H28N2O6S — CID 46586819

IUPACN-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(OC)c2OC)c1
InChIInChI=1S/C25H28N2O6S/c1-17-13-14-19(34(29,30)27(2)21-10-6-7-11-22(21)31-3)15-20(17)25(28)26-16-18-9-8-12-23(32-4)24(18)33-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeyLVTMHHKZVVCCMH-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.78
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide

N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (PubChem CID 46586819) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
PubChem CID46586819
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(OC)c2OC)c1
InChIInChI=1S/C25H28N2O6S/c1-17-13-14-19(34(29,30)27(2)21-10-6-7-11-22(21)31-3)15-20(17)25(28)26-16-18-9-8-12-23(32-4)24(18)33-5/h6-15H,16H2,1-5H3,(H,26,28)
InChIKeyLVTMHHKZVVCCMH-UHFFFAOYSA-N
XLogP3.78
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 37391756
N-[2-(2-methoxyphenoxy)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 38452304
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051
N-[(2S)-1-aminopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide;hydrochloride
CID 120507374
N-[4-[(2-methoxyacetyl)amino]phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 35332560
N-(2-acetamidoethyl)-2-chloro-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26655839
methyl 3-[[5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzoyl]amino]benzoate
CID 34059714
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 43049096

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide (CID 46586819) is N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(OC)c2OC)c1.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
The InChIKey is LVTMHHKZVVCCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-17-13-14-19(34(29,30)27(2)21-10-6-7-11-22(21)31-3)15-20(17)25(28)26-16-18-9-8-12-23(32-4)24(18)33-5/h6-15H,16H2,1-5H3,(H,26,28).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide?
N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide has a molecular weight of 484.57 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 46586819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).