3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide

C22H23N3O3S — CID 4782429

IUPAC3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C
InChIInChI=1S/C22H23N3O3S/c1-3-25(20-10-5-4-6-11-20)29(27,28)21-15-18(13-12-17(21)2)22(26)24-16-19-9-7-8-14-23-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyYMILHIPFRJPJEB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.54
Rot. Bonds7

About 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 4782429) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID4782429
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C
InChIInChI=1S/C22H23N3O3S/c1-3-25(20-10-5-4-6-11-20)29(27,28)21-15-18(13-12-17(21)2)22(26)24-16-19-9-7-8-14-23-19/h4-15H,3,16H2,1-2H3,(H,24,26)
InChIKeyYMILHIPFRJPJEB-UHFFFAOYSA-N
XLogP3.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 4782429) is 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1C.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YMILHIPFRJPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-25(20-10-5-4-6-11-20)29(27,28)21-15-18(13-12-17(21)2)22(26)24-16-19-9-7-8-14-23-19/h4-15H,3,16H2,1-2H3,(H,24,26).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 4782429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).