2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C18H18F3N3O2S — CID 4273202

IUPAC2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H18F3N3O2S/c1-12(25)24-16(17(26)23-10-14-6-2-3-8-22-14)11-27-15-7-4-5-13(9-15)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyYTVGZCNPYDOHJJ-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.01
Rot. Bonds7

About 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 4273202) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID4273202
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H18F3N3O2S/c1-12(25)24-16(17(26)23-10-14-6-2-3-8-22-14)11-27-15-7-4-5-13(9-15)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,23,26)(H,24,25)
InChIKeyYTVGZCNPYDOHJJ-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide 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

2-acetamido-N-benzyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 4544086
2-acetamido-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 3933506
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
N-[1-oxo-1-(4-phenylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
CID 4222798
N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71870789
(2S,3R)-4-oxo-4-(pyridin-2-ylmethylamino)-2,3-bis[[3-(trifluoromethyl)benzoyl]oxy]butanoic acid
CID 126374706
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
2-acetamido-3-(3-bromophenyl)sulfanyl-N-propylpropanamide
CID 4562126
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415
(2S)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 28771750
2-acetamido-N-(2-amino-2-oxoethyl)-3-phenylsulfanylpropanamide
CID 3507382
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 4273202) is 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccn1.
What is the InChIKey of 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is YTVGZCNPYDOHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-12(25)24-16(17(26)23-10-14-6-2-3-8-22-14)11-27-15-7-4-5-13(9-15)18(19,20)21/h2-9,16H,10-11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 397.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 4273202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).