(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide

C19H24FN3O3S — CID 8517945

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1F
InChIInChI=1S/C19H24FN3O3S/c1-14(23(4)13-15-8-5-6-11-18(15)20)19(24)21-16-9-7-10-17(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyNVLBCRIWWDEDDR-AWEZNQCLSA-N
MW393.48 g/mol
LogP2.54
Rot. Bonds7

About (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 8517945) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
PubChem CID8517945
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1F
InChIInChI=1S/C19H24FN3O3S/c1-14(23(4)13-15-8-5-6-11-18(15)20)19(24)21-16-9-7-10-17(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24)/t14-/m0/s1
InChIKeyNVLBCRIWWDEDDR-AWEZNQCLSA-N
XLogP2.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide 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

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864249
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27252118
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 8517812

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide (CID 8517945) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide is C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N(C)Cc1ccccc1F.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is NVLBCRIWWDEDDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-14(23(4)13-15-8-5-6-11-18(15)20)19(24)21-16-9-7-10-17(12-16)27(25,26)22(2)3/h5-12,14H,13H2,1-4H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 393.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 8517945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).