N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide

C21H21FN4O4S — CID 2934575

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3F)cc2)n1
InChIInChI=1S/C21H21FN4O4S/c1-13-12-14(2)24-21(23-13)26-31(28,29)17-10-8-16(9-11-17)25-20(27)15(3)30-19-7-5-4-6-18(19)22/h4-12,15H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyAHNFHGGCLUIVBR-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide (PubChem CID 2934575) has the molecular formula C21H21FN4O4S and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide
PubChem CID2934575
Molecular FormulaC21H21FN4O4S
Molecular Weight444.49 g/mol
Exact Mass444.13
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3F)cc2)n1
InChIInChI=1S/C21H21FN4O4S/c1-13-12-14(2)24-21(23-13)26-31(28,29)17-10-8-16(9-11-17)25-20(27)15(3)30-19-7-5-4-6-18(19)22/h4-12,15H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyAHNFHGGCLUIVBR-UHFFFAOYSA-N
XLogP3.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide (CID 2934575) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccccc3F)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide?
The InChIKey is AHNFHGGCLUIVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4S/c1-13-12-14(2)24-21(23-13)26-31(28,29)17-10-8-16(9-11-17)25-20(27)15(3)30-19-7-5-4-6-18(19)22/h4-12,15H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide has a molecular weight of 444.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 2934575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).