N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide

C18H20F3N3OS — CID 55964551

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2SC(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3OS/c1-3-24(4-2)16-10-9-13(11-22-16)12-23-17(25)14-7-5-6-8-15(14)26-18(19,20)21/h5-11H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyPOXKJHSNUYIQFX-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.47
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55964551) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55964551
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCCN(CC)c1ccc(CNC(=O)c2ccccc2SC(F)(F)F)cn1
InChIInChI=1S/C18H20F3N3OS/c1-3-24(4-2)16-10-9-13(11-22-16)12-23-17(25)14-7-5-6-8-15(14)26-18(19,20)21/h5-11H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyPOXKJHSNUYIQFX-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide 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-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 119946492
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55965063
2-benzamido-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 60516023
2-benzylsulfanyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]propanamide
CID 55849326
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374
2-amino-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpropanamide
CID 119846340
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360
N-[[4-(diethylamino)phenyl]methyl]-2-propan-2-ylsulfanylbenzamide
CID 100615537
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
(2S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-pyrazol-1-ylpropanamide
CID 94176904

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55964551) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide is CCN(CC)c1ccc(CNC(=O)c2ccccc2SC(F)(F)F)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is POXKJHSNUYIQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c1-3-24(4-2)16-10-9-13(11-22-16)12-23-17(25)14-7-5-6-8-15(14)26-18(19,20)21/h5-11H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 383.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55964551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).