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

C23H24N4O5S — CID 2434717

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C23H24N4O5S/c1-4-21(28)17-5-9-19(10-6-17)32-14-23(29)26-18-7-11-20(12-8-18)33(30,31)27-22-13-15(2)24-16(3)25-22/h5-13H,4,14H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyIQMTZGCAERROPU-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.50
Rot. Bonds9

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

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 2434717) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID2434717
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
InChIInChI=1S/C23H24N4O5S/c1-4-21(28)17-5-9-19(10-6-17)32-14-23(29)26-18-7-11-20(12-8-18)33(30,31)27-22-13-15(2)24-16(3)25-22/h5-13H,4,14H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyIQMTZGCAERROPU-UHFFFAOYSA-N
XLogP3.50
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide (CID 2434717) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is IQMTZGCAERROPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-4-21(28)17-5-9-19(10-6-17)32-14-23(29)26-18-7-11-20(12-8-18)33(30,31)27-22-13-15(2)24-16(3)25-22/h5-13H,4,14H2,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 468.54 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 2434717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).