N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

C24H27F3N2O5S — CID 142212436

IUPACN-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCC(=O)N1CCCC(N(Cc2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C24H27F3N2O5S/c1-17(30)19-7-5-18(6-8-19)14-29(21-4-3-13-28(15-21)23(31)16-34-2)35(32,33)22-11-9-20(10-12-22)24(25,26)27/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyQLAHSXJVEFESQA-UHFFFAOYSA-N
MW512.55 g/mol
LogP3.74
Rot. Bonds8

About N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 142212436) has the molecular formula C24H27F3N2O5S and a molecular weight of 512.55 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID142212436
Molecular FormulaC24H27F3N2O5S
Molecular Weight512.55 g/mol
Exact Mass512.16
IUPAC NameN-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCC(=O)N1CCCC(N(Cc2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C24H27F3N2O5S/c1-17(30)19-7-5-18(6-8-19)14-29(21-4-3-13-28(15-21)23(31)16-34-2)35(32,33)22-11-9-20(10-12-22)24(25,26)27/h5-12,21H,3-4,13-16H2,1-2H3
InChIKeyQLAHSXJVEFESQA-UHFFFAOYSA-N
XLogP3.74
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

methyl 4-[[[1-(2-methoxyacetyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 10301939
methyl 4-[[[1-(2-methylsulfanylacetyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 10143749
methyl 4-[[(1-methylsulfonylpiperidin-3-yl)-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 58718491
tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[[4-(2,2,2-trifluoroacetyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 58589400
tert-butyl 3-[benzenesulfonyl-[(4-methoxycarbonylphenyl)methyl]amino]piperidine-1-carboxylate
CID 10184810
methyl 4-[[(4-methoxyphenyl)sulfonyl-[1-(2-methylpropanoyl)piperidin-3-yl]amino]methyl]benzoate
CID 58718475
tert-butyl 3-[(4-methoxyphenyl)sulfonyl-[[4-(morpholine-4-carbonyl)phenyl]methyl]amino]piperidine-1-carboxylate
CID 58589385
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
4-acetyl-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541526
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
methyl 4-[[(4-chlorophenyl)sulfonyl-(1-propylsulfonylpiperidin-3-yl)amino]methyl]benzoate
CID 58718454

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 142212436) is N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is COCC(=O)N1CCCC(N(Cc2ccc(C(C)=O)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QLAHSXJVEFESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O5S/c1-17(30)19-7-5-18(6-8-19)14-29(21-4-3-13-28(15-21)23(31)16-34-2)35(32,33)22-11-9-20(10-12-22)24(25,26)27/h5-12,21H,3-4,13-16H2,1-2H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 512.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-N-[1-(2-methoxyacetyl)piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142212436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).