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

C22H23N3O4S — CID 55708038

IUPAC4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-11-7-19(8-12-21)22(26)24-15-17-5-9-20(10-6-17)29-16-18-4-3-13-23-14-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyWAVHPDHHMHSFSK-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.84
Rot. Bonds8

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

4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55708038) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55708038
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-11-7-19(8-12-21)22(26)24-15-17-5-9-20(10-6-17)29-16-18-4-3-13-23-14-18/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyWAVHPDHHMHSFSK-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

4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-[methyl(phenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4801676
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46466645
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[4-(pyridin-3-ylmethoxy)phenyl]sulfonylbenzamide
CID 144935099

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (CID 55708038) is 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is WAVHPDHHMHSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-25(2)30(27,28)21-11-7-19(8-12-21)22(26)24-15-17-5-9-20(10-6-17)29-16-18-4-3-13-23-14-18/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-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 4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55708038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).