N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide

C21H27FN2O3S — CID 55818783

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O3S/c1-4-24(5-2)15-18-9-7-6-8-17(18)14-23-21(25)16(3)28(26,27)20-12-10-19(22)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyCWFBHNBTUOYZSN-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.15
Rot. Bonds9

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 55818783) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID55818783
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H27FN2O3S/c1-4-24(5-2)15-18-9-7-6-8-17(18)14-23-21(25)16(3)28(26,27)20-12-10-19(22)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25)
InChIKeyCWFBHNBTUOYZSN-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 55818783) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide is CCN(CC)Cc1ccccc1CNC(=O)C(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is CWFBHNBTUOYZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-4-24(5-2)15-18-9-7-6-8-17(18)14-23-21(25)16(3)28(26,27)20-12-10-19(22)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,25).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 406.52 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 55818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).