2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C21H22N4O4S — CID 30390308

IUPAC2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-4-5-15(2)19(12-14)29-13-20(26)24-17-6-8-18(9-7-17)30(27,28)25-21-22-11-10-16(3)23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyZGWZMWMXLGKGMN-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.22
Rot. Bonds7

About 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 30390308) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID30390308
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1
InChIInChI=1S/C21H22N4O4S/c1-14-4-5-15(2)19(12-14)29-13-20(26)24-17-6-8-18(9-7-17)30(27,28)25-21-22-11-10-16(3)23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyZGWZMWMXLGKGMN-UHFFFAOYSA-N
XLogP3.22
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
2-(2,5-dimethylphenoxy)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 4932601
2-(2,5-dimethylphenoxy)-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 54782870
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 28580204
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43908968
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
2-(2,5-dimethylphenoxy)-N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 5208543
2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1090728
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
CID 1013137
3,5-dimethoxy-N-[3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 17191722
3-cyclopentyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 1224874

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 30390308) is 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZGWZMWMXLGKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-4-5-15(2)19(12-14)29-13-20(26)24-17-6-8-18(9-7-17)30(27,28)25-21-22-11-10-16(3)23-21/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 30390308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).