N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide

C19H21F3N2O3S — CID 86958039

IUPACN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCC(c1c(F)cccc1F)N(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-12(28(26,27)14-9-7-13(20)8-10-14)19(25)23-11-17(24(2)3)18-15(21)5-4-6-16(18)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)
InChIKeyBRHXXFMLMZITSK-UHFFFAOYSA-N
MW414.45 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide

N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 86958039) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID86958039
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCC(c1c(F)cccc1F)N(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21F3N2O3S/c1-12(28(26,27)14-9-7-13(20)8-10-14)19(25)23-11-17(24(2)3)18-15(21)5-4-6-16(18)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)
InChIKeyBRHXXFMLMZITSK-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-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

Related Compounds

(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 95348488
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55818783
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111794174
1-(2,6-difluorophenyl)-N'-(3-fluoro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314758
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 25478911
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55959373
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
CID 94652953
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119889365

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 86958039) is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide is CC(C(=O)NCC(c1c(F)cccc1F)N(C)C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is BRHXXFMLMZITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-12(28(26,27)14-9-7-13(20)8-10-14)19(25)23-11-17(24(2)3)18-15(21)5-4-6-16(18)22/h4-10,12,17H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 414.45 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 86958039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).