4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

C21H21N3O4S — CID 90596113

IUPAC4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-11-9-17(10-12-19)21(25)23-15-16-6-5-7-18(14-16)28-20-8-3-4-13-22-20/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyFCTBTCFDPZTAFO-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.05
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (PubChem CID 90596113) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
PubChem CID90596113
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-11-9-17(10-12-19)21(25)23-15-16-6-5-7-18(14-16)28-20-8-3-4-13-22-20/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyFCTBTCFDPZTAFO-UHFFFAOYSA-N
XLogP3.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
4-[methoxy(methyl)sulfamoyl]-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39576422
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55800855
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (CID 90596113) is 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The InChIKey is FCTBTCFDPZTAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(2)29(26,27)19-11-9-17(10-12-19)21(25)23-15-16-6-5-7-18(14-16)28-20-8-3-4-13-22-20/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 90596113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).