N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

C22H23N3O3S — CID 55535046

IUPACN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccncc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-4-7-19(8-5-16)24-29(27,28)20-9-6-17(2)21(14-20)22(26)25(3)15-18-10-12-23-13-11-18/h4-14,24H,15H2,1-3H3
InChIKeyLJRAKSDXHJHMJZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.77
Rot. Bonds6

About N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide

N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 55535046) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID55535046
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccncc3)c2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-4-7-19(8-5-16)24-29(27,28)20-9-6-17(2)21(14-20)22(26)25(3)15-18-10-12-23-13-11-18/h4-14,24H,15H2,1-3H3
InChIKeyLJRAKSDXHJHMJZ-UHFFFAOYSA-N
XLogP3.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 42999156
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 56510388
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
5-[(4-ethoxyphenyl)sulfamoyl]-N,2-dimethyl-N-propylbenzamide
CID 86866408
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-benzyl-N,4-dimethyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4042579
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide (CID 55535046) is N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccncc3)c2)cc1.
What is the InChIKey of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is LJRAKSDXHJHMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-4-7-19(8-5-16)24-29(27,28)20-9-6-17(2)21(14-20)22(26)25(3)15-18-10-12-23-13-11-18/h4-14,24H,15H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide?
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 55535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).