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

C23H24N2O5S — CID 46771161

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-16-4-11-20(12-5-16)31(27,28)25-19-9-7-18(8-10-19)23(26)24-15-17-6-13-21(29-2)22(14-17)30-3/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyPTMMBGUSLAOVKK-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.74
Rot. Bonds8

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

N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46771161) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46771161
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-16-4-11-20(12-5-16)31(27,28)25-19-9-7-18(8-10-19)23(26)24-15-17-6-13-21(29-2)22(14-17)30-3/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyPTMMBGUSLAOVKK-UHFFFAOYSA-N
XLogP3.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 41262425
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 55349910
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 55678008
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 38966384
4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]benzamide
CID 2569077
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 46771161) is N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PTMMBGUSLAOVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-4-11-20(12-5-16)31(27,28)25-19-9-7-18(8-10-19)23(26)24-15-17-6-13-21(29-2)22(14-17)30-3/h4-14,25H,15H2,1-3H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 440.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46771161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).