2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

C21H21N3O4S — CID 1078194

IUPAC2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZBDDKWXAYEUDS-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.52
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 1078194) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
PubChem CID1078194
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCZBDDKWXAYEUDS-UHFFFAOYSA-N
XLogP3.52
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide (CID 1078194) is 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is CZBDDKWXAYEUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-6-9-18(13-16(15)2)28-14-21(25)23-17-7-10-19(11-8-17)29(26,27)24-20-5-3-4-12-22-20/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1078194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).