N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide

C20H25FN2O3S — CID 31747284

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-23(4-2)27(25,26)19-12-7-17(8-13-19)15-22-20(24)14-9-16-5-10-18(21)11-6-16/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,24)
InChIKeyCUOWXLHRRJFEAQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.11
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 31747284) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID31747284
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-3-23(4-2)27(25,26)19-12-7-17(8-13-19)15-22-20(24)14-9-16-5-10-18(21)11-6-16/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,24)
InChIKeyCUOWXLHRRJFEAQ-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide (CID 31747284) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is CUOWXLHRRJFEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-3-23(4-2)27(25,26)19-12-7-17(8-13-19)15-22-20(24)14-9-16-5-10-18(21)11-6-16/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 31747284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).