N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

C19H26F3N3O3S — CID 17489420

IUPACN-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3S/c20-19(21,22)15-5-4-8-17(13-15)29(27,28)25-11-9-24(10-12-25)14-18(26)23-16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H,23,26)
InChIKeyGYYUYEDCFBZUNK-UHFFFAOYSA-N
MW433.50 g/mol
LogP2.46
Rot. Bonds5

About N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide

N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 17489420) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID17489420
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC NameN-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C19H26F3N3O3S/c20-19(21,22)15-5-4-8-17(13-15)29(27,28)25-11-9-24(10-12-25)14-18(26)23-16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H,23,26)
InChIKeyGYYUYEDCFBZUNK-UHFFFAOYSA-N
XLogP2.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide 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

[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[4-(2,5-difluorophenyl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44570763
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
4-Methyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 751041
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
N-[1-(N-Methylglycyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)-benzenesulfonamide
CID 25185176
N-[1-(N,N-Dimethylglycyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoro-methyl)benzenesulfonamide
CID 25185177
N-{(1S)-1-{[4-(3-Aminopropyl)piperazin-1-YL]carbonyl}-4-[(diaminomethylene)amino]butyl}-3-(trifluoromethyl)benzenesulfonamide
CID 6852123
2,2-Dimethyl-N-[1-(3-trifluoromethyl-benzenesulfonyl)-piperidin-4-yl]-propionamide
CID 646229
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1006987
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
N~2~-methyl-N-(2-phenylethyl)-N~2~-(phenylsulfonyl)glycinamide
CID 2188522

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide (CID 17489420) is N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is GYYUYEDCFBZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c20-19(21,22)15-5-4-8-17(13-15)29(27,28)25-11-9-24(10-12-25)14-18(26)23-16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H,23,26).
What are the key properties of N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 433.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 17489420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).