2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

C22H23N3O4S — CID 1092926

IUPAC2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-25(16-18-6-3-2-4-7-18)30(27,28)21-11-9-20(10-12-21)29-17-22(26)24-15-19-8-5-13-23-14-19/h2-14H,15-17H2,1H3,(H,24,26)
InChIKeyXUKNUZWNTRJKHR-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.60
Rot. Bonds9

About 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1092926) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1092926
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C22H23N3O4S/c1-25(16-18-6-3-2-4-7-18)30(27,28)21-11-9-20(10-12-21)29-17-22(26)24-15-19-8-5-13-23-14-19/h2-14H,15-17H2,1H3,(H,24,26)
InChIKeyXUKNUZWNTRJKHR-UHFFFAOYSA-N
XLogP2.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 1092926) is 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XUKNUZWNTRJKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-25(16-18-6-3-2-4-7-18)30(27,28)21-11-9-20(10-12-21)29-17-22(26)24-15-19-8-5-13-23-14-19/h2-14H,15-17H2,1H3,(H,24,26).
What are the key properties of 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1092926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).