2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

C22H24N4O3S — CID 28580204

IUPAC2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C22H24N4O3S/c1-14-5-6-15(2)18(11-14)13-21(27)25-19-7-9-20(10-8-19)30(28,29)26-22-23-16(3)12-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyWLDMLVLUUFCOLJ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.69
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide

2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 28580204) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID28580204
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C22H24N4O3S/c1-14-5-6-15(2)18(11-14)13-21(27)25-19-7-9-20(10-8-19)30(28,29)26-22-23-16(3)12-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyWLDMLVLUUFCOLJ-UHFFFAOYSA-N
XLogP3.69
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dimethylphenyl)methylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 10157602
1-(2,4-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 134105660
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,5-dimethylphenyl)acetamide
CID 92672071
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
2-(2,6-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 1015505
2-(2,5-dimethylphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 30390308
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354653

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide (CID 28580204) is 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is WLDMLVLUUFCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-5-6-15(2)18(11-14)13-21(27)25-19-7-9-20(10-8-19)30(28,29)26-22-23-16(3)12-17(4)24-22/h5-12H,13H2,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide?
2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 28580204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).