N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C23H24F4N2O3S — CID 55920888

IUPACN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F4N2O3S/c1-2-12-28(16-18-6-3-4-9-21(18)24)22(30)17-10-13-29(14-11-17)33(31,32)20-8-5-7-19(15-20)23(25,26)27/h2-9,15,17H,1,10-14,16H2
InChIKeySTDIIWMRZBQPGF-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.46
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55920888) has the molecular formula C23H24F4N2O3S and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55920888
Molecular FormulaC23H24F4N2O3S
Molecular Weight484.52 g/mol
Exact Mass484.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESC=CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H24F4N2O3S/c1-2-12-28(16-18-6-3-4-9-21(18)24)22(30)17-10-13-29(14-11-17)33(31,32)20-8-5-7-19(15-20)23(25,26)27/h2-9,15,17H,1,10-14,16H2
InChIKeySTDIIWMRZBQPGF-UHFFFAOYSA-N
XLogP4.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-(3,5-Bis(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 2729564
(4-(3,5-Bis(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)(phenyl)methanone
CID 13458368
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
(3-Fluoro-phenyl)-[4-(4-trifluoromethyl-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 654215
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 2921707
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
N-[(4-fluorophenyl)methyl]-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 3640782
4-fluoro-N'-{[1-(3-fluorobenzyl)-4-piperidinyl]carbonyl}benzenesulfonohydrazide
CID 3748274
N-[2-(dimethylamino)-2-phenylethyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 4877700
N-(3-{[2-(3-fluorophenyl)ethyl]amino}-3-oxopropyl)-1-[(4-fluorophenyl)sulfonyl]piperidine-4-carboxamide
CID 17585452
N-(3-(benzylamino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 17585676
(3-Pyrrolidinosulfonylphenyl)-[3-(trifluoromethyl)piperidino]methanone
CID 24982986

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55920888) is N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is C=CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is STDIIWMRZBQPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3S/c1-2-12-28(16-18-6-3-4-9-21(18)24)22(30)17-10-13-29(14-11-17)33(31,32)20-8-5-7-19(15-20)23(25,26)27/h2-9,15,17H,1,10-14,16H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55920888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).