2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide

C21H23F3N2O3S — CID 154851550

IUPAC2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1ccc(CC2CCCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-15-7-9-16(10-8-15)12-17-4-3-11-26(14-17)30(28,29)19-6-2-5-18(13-19)25-20(27)21(22,23)24/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,25,27)
InChIKeyLHFVWLDWYZEPSV-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.14
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide

2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 154851550) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID154851550
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1ccc(CC2CCCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C21H23F3N2O3S/c1-15-7-9-16(10-8-15)12-17-4-3-11-26(14-17)30(28,29)19-6-2-5-18(13-19)25-20(27)21(22,23)24/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,25,27)
InChIKeyLHFVWLDWYZEPSV-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 131923811
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
3-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80675902
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
N-[3-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 42101555
N-[[1-(3-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-2-amine
CID 63241431
(3S)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 9073638
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide (CID 154851550) is 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is Cc1ccc(CC2CCCN(S(=O)(=O)c3cccc(NC(=O)C(F)(F)F)c3)C2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is LHFVWLDWYZEPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-15-7-9-16(10-8-15)12-17-4-3-11-26(14-17)30(28,29)19-6-2-5-18(13-19)25-20(27)21(22,23)24/h2,5-10,13,17H,3-4,11-12,14H2,1H3,(H,25,27).
What are the key properties of 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide?
2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 440.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[3-[(4-methylphenyl)methyl]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 154851550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).