2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide

C22H23N3O4S — CID 27186819

IUPAC2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C
InChIInChI=1S/C22H23N3O4S/c1-16-6-7-18(13-17(16)2)25-30(27,28)21-10-8-20(9-11-21)29-15-22(26)24-14-19-5-3-4-12-23-19/h3-13,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyMJQJLBJUJOCKJD-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.19
Rot. Bonds8

About 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide

2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 27186819) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID27186819
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C
InChIInChI=1S/C22H23N3O4S/c1-16-6-7-18(13-17(16)2)25-30(27,28)21-10-8-20(9-11-21)29-15-22(26)24-14-19-5-3-4-12-23-19/h3-13,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyMJQJLBJUJOCKJD-UHFFFAOYSA-N
XLogP3.19
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
3-[(3,4-dimethylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064830
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide (CID 27186819) is 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)cc2)cc1C.
What is the InChIKey of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is MJQJLBJUJOCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-6-7-18(13-17(16)2)25-30(27,28)21-10-8-20(9-11-21)29-15-22(26)24-14-19-5-3-4-12-23-19/h3-13,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 27186819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).