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

C20H19FN4O3S — CID 2407206

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O3S/c1-13-11-14(2)23-20(22-13)25-29(27,28)17-9-7-16(8-10-17)24-19(26)12-15-5-3-4-6-18(15)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJPDDRHRIFHPTGE-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.21
Rot. Bonds6

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

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 2407206) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID2407206
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3F)cc2)n1
InChIInChI=1S/C20H19FN4O3S/c1-13-11-14(2)23-20(22-13)25-29(27,28)17-9-7-16(8-10-17)24-19(26)12-15-5-3-4-6-18(15)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJPDDRHRIFHPTGE-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide (CID 2407206) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JPDDRHRIFHPTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c1-13-11-14(2)23-20(22-13)25-29(27,28)17-9-7-16(8-10-17)24-19(26)12-15-5-3-4-6-18(15)21/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 414.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2407206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).