N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C21H23FN4O3S — CID 55462575

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H23FN4O3S/c1-23-30(28,29)18-10-3-15(4-11-18)5-12-19(27)25-20(21-24-13-14-26(21)2)16-6-8-17(22)9-7-16/h3-4,6-11,13-14,20,23H,5,12H2,1-2H3,(H,25,27)
InChIKeyRIEFOFZLTLZDHZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.31
Rot. Bonds8

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 55462575) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID55462575
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1
InChIInChI=1S/C21H23FN4O3S/c1-23-30(28,29)18-10-3-15(4-11-18)5-12-19(27)25-20(21-24-13-14-26(21)2)16-6-8-17(22)9-7-16/h3-4,6-11,13-14,20,23H,5,12H2,1-2H3,(H,25,27)
InChIKeyRIEFOFZLTLZDHZ-UHFFFAOYSA-N
XLogP2.31
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 55462575) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC(c2ccc(F)cc2)c2nccn2C)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is RIEFOFZLTLZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-23-30(28,29)18-10-3-15(4-11-18)5-12-19(27)25-20(21-24-13-14-26(21)2)16-6-8-17(22)9-7-16/h3-4,6-11,13-14,20,23H,5,12H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 430.51 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55462575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).