3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide

C18H21FN2O3S — CID 110674327

IUPAC3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-21(14-16-5-3-2-4-6-16)25(23,24)12-11-18(22)20-13-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyWJUZUGXHINFBMP-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.29
Rot. Bonds8

About 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide

3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 110674327) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID110674327
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-21(14-16-5-3-2-4-6-16)25(23,24)12-11-18(22)20-13-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyWJUZUGXHINFBMP-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[benzyl(methyl)sulfamoyl]propanamide
CID 110674320
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-[2-[benzyl(methyl)sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618292
N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 4207378
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 110674327) is 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide is CN(Cc1ccccc1)S(=O)(=O)CCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is WJUZUGXHINFBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-21(14-16-5-3-2-4-6-16)25(23,24)12-11-18(22)20-13-15-7-9-17(19)10-8-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 110674327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).