2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

C23H25F4N3O4S — CID 3232497

IUPAC2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F4N3O4S/c1-15(31)28-21(14-16-2-6-18(24)7-3-16)22(32)29-19-10-12-30(13-11-19)35(33,34)20-8-4-17(5-9-20)23(25,26)27/h2-9,19,21H,10-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyJHZKZMUCILSYEK-UHFFFAOYSA-N
MW515.53 g/mol
LogP2.86
Rot. Bonds7

About 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (PubChem CID 3232497) has the molecular formula C23H25F4N3O4S and a molecular weight of 515.53 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
PubChem CID3232497
Molecular FormulaC23H25F4N3O4S
Molecular Weight515.53 g/mol
Exact Mass515.15
IUPAC Name2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F4N3O4S/c1-15(31)28-21(14-16-2-6-18(24)7-3-16)22(32)29-19-10-12-30(13-11-19)35(33,34)20-8-4-17(5-9-20)23(25,26)27/h2-9,19,21H,10-14H2,1H3,(H,28,31)(H,29,32)
InChIKeyJHZKZMUCILSYEK-UHFFFAOYSA-N
XLogP2.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]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

2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232431
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
(2R)-2-acetamido-3-(3,4-difluorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 98114005
2-acetamido-N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-acetamido-3-(4-fluorophenyl)-N-[1-(methylcarbamothioyl)piperidin-4-yl]propanamide
CID 3227002
1-(4-fluorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27052613
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
CID 93473311
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 7739772
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 132666094

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (CID 3232497) is 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is CC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The InChIKey is JHZKZMUCILSYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O4S/c1-15(31)28-21(14-16-2-6-18(24)7-3-16)22(32)29-19-10-12-30(13-11-19)35(33,34)20-8-4-17(5-9-20)23(25,26)27/h2-9,19,21H,10-14H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide has a molecular weight of 515.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 3232497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).