N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide

C21H22N4O6S — CID 647000

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1
InChIInChI=1S/C21H22N4O6S/c1-14-6-4-5-7-17(14)31-13-19(26)22-15-8-10-16(11-9-15)32(27,28)25-18-12-20(29-2)24-21(23-18)30-3/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyPUEXSOIRIYNHHH-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.62
Rot. Bonds9

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 647000) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID647000
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1
InChIInChI=1S/C21H22N4O6S/c1-14-6-4-5-7-17(14)31-13-19(26)22-15-8-10-16(11-9-15)32(27,28)25-18-12-20(29-2)24-21(23-18)30-3/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25)
InChIKeyPUEXSOIRIYNHHH-UHFFFAOYSA-N
XLogP2.62
TPSA128.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide (CID 647000) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is PUEXSOIRIYNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-14-6-4-5-7-17(14)31-13-19(26)22-15-8-10-16(11-9-15)32(27,28)25-18-12-20(29-2)24-21(23-18)30-3/h4-12H,13H2,1-3H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 458.50 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 647000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).