N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide

C20H23F3N4OS — CID 55965063

IUPACN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3ccccc3SC(F)(F)F)cn2)CC1
InChIInChI=1S/C20H23F3N4OS/c1-2-26-9-11-27(12-10-26)18-8-7-15(13-24-18)14-25-19(28)16-5-3-4-6-17(16)29-20(21,22)23/h3-8,13H,2,9-12,14H2,1H3,(H,25,28)
InChIKeySUBWHTKVESCAJZ-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.77
Rot. Bonds6

About N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 55965063) has the molecular formula C20H23F3N4OS and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID55965063
Molecular FormulaC20H23F3N4OS
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC NameN-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESCCN1CCN(c2ccc(CNC(=O)c3ccccc3SC(F)(F)F)cn2)CC1
InChIInChI=1S/C20H23F3N4OS/c1-2-26-9-11-27(12-10-26)18-8-7-15(13-24-18)14-25-19(28)16-5-3-4-6-17(16)29-20(21,22)23/h3-8,13H,2,9-12,14H2,1H3,(H,25,28)
InChIKeySUBWHTKVESCAJZ-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-ethylpiperazin-1-yl)-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

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55964551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540018
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55964680
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738
N-[1-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55744182
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78879225

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide (CID 55965063) is N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide is CCN1CCN(c2ccc(CNC(=O)c3ccccc3SC(F)(F)F)cn2)CC1.
What is the InChIKey of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is SUBWHTKVESCAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4OS/c1-2-26-9-11-27(12-10-26)18-8-7-15(13-24-18)14-25-19(28)16-5-3-4-6-17(16)29-20(21,22)23/h3-8,13H,2,9-12,14H2,1H3,(H,25,28).
What are the key properties of N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 424.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 55965063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).