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

C22H23N3O4S — CID 55902266

IUPAC3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-8-5-6-18(14-21)22(26)24-15-17-9-11-20(12-10-17)29-16-19-7-3-4-13-23-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyWUBLBMDVQNULPY-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.84
Rot. Bonds8

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

3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55902266) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55902266
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-8-5-6-18(14-21)22(26)24-15-17-9-11-20(12-10-17)29-16-19-7-3-4-13-23-19/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyWUBLBMDVQNULPY-UHFFFAOYSA-N
XLogP2.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55901885
4-chloro-3-(diethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55902520
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
N-(pyridin-4-ylmethyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064781
N-benzyl-2-[[3-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 100624742
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide (CID 55902266) is 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(OCc3ccccn3)cc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is WUBLBMDVQNULPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-8-5-6-18(14-21)22(26)24-15-17-9-11-20(12-10-17)29-16-19-7-3-4-13-23-19/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide?
3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55902266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).