(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C21H21F3N4O3S — CID 55953762

IUPAC(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21F3N4O3S/c1-15(27-32(30,31)19-9-3-2-8-18(19)21(22,23)24)20(29)25-13-16-6-4-7-17(12-16)14-28-11-5-10-26-28/h2-12,15,27H,13-14H2,1H3,(H,25,29)/t15-/m0/s1
InChIKeyDWKNKCOIIWIEQS-HNNXBMFYSA-N
MW466.49 g/mol
LogP2.93
Rot. Bonds8

About (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 55953762) has the molecular formula C21H21F3N4O3S and a molecular weight of 466.49 g/mol. Its IUPAC name is (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID55953762
Molecular FormulaC21H21F3N4O3S
Molecular Weight466.49 g/mol
Exact Mass466.13
IUPAC Name(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21F3N4O3S/c1-15(27-32(30,31)19-9-3-2-8-18(19)21(22,23)24)20(29)25-13-16-6-4-7-17(12-16)14-28-11-5-10-26-28/h2-12,15,27H,13-14H2,1H3,(H,25,29)/t15-/m0/s1
InChIKeyDWKNKCOIIWIEQS-HNNXBMFYSA-N
XLogP2.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]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

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 17482632
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
CID 119301023
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 46443231
(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55940569
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56502575
N-[(2S)-1-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 30132868
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 37210962

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 55953762) is (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is DWKNKCOIIWIEQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S/c1-15(27-32(30,31)19-9-3-2-8-18(19)21(22,23)24)20(29)25-13-16-6-4-7-17(12-16)14-28-11-5-10-26-28/h2-12,15,27H,13-14H2,1H3,(H,25,29)/t15-/m0/s1.
What are the key properties of (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 466.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55953762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).