N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C18H21FN2O3S — CID 47007316

IUPACN-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(16-5-3-4-6-17(16)19)21-18(22)12-9-14-7-10-15(11-8-14)25(23,24)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,22)
InChIKeyXPSRLXHFNHMOFY-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.54
Rot. Bonds7

About N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 47007316) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID47007316
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(16-5-3-4-6-17(16)19)21-18(22)12-9-14-7-10-15(11-8-14)25(23,24)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,22)
InChIKeyXPSRLXHFNHMOFY-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402388
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
3-[4-(methylsulfamoyl)phenyl]-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43873885
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
3-methyl-2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]butanoic acid
CID 119169867
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18116434
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 51928644
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 47007316) is N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC(C)c2ccccc2F)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is XPSRLXHFNHMOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(16-5-3-4-6-17(16)19)21-18(22)12-9-14-7-10-15(11-8-14)25(23,24)20-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 47007316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).