N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C25H28N2O5S — CID 46778138

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-10-13-20(14-11-18)33(29,30)27(3)22-9-7-6-8-21(22)25(28)26(2)17-19-12-15-23(31-4)24(16-19)32-5/h6-16H,17H2,1-5H3
InChIKeyOSCCZYJVFNKFAG-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.11
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46778138) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46778138
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H28N2O5S/c1-18-10-13-20(14-11-18)33(29,30)27(3)22-9-7-6-8-21(22)25(28)26(2)17-19-12-15-23(31-4)24(16-19)32-5/h6-16H,17H2,1-5H3
InChIKeyOSCCZYJVFNKFAG-UHFFFAOYSA-N
XLogP4.11
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 46778138) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(CN(C)C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is OSCCZYJVFNKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-18-10-13-20(14-11-18)33(29,30)27(3)22-9-7-6-8-21(22)25(28)26(2)17-19-12-15-23(31-4)24(16-19)32-5/h6-16H,17H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 468.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).