3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C23H28F3N3O3S — CID 55945493

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H28F3N3O3S/c1-27-33(31,32)21-8-5-17(6-9-21)7-10-22(30)28-20-11-13-29(14-12-20)16-18-3-2-4-19(15-18)23(24,25)26/h2-6,8-9,15,20,27H,7,10-14,16H2,1H3,(H,28,30)
InChIKeyZDCOPTJOXYAXDE-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.33
Rot. Bonds8

About 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 55945493) has the molecular formula C23H28F3N3O3S and a molecular weight of 483.56 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID55945493
Molecular FormulaC23H28F3N3O3S
Molecular Weight483.56 g/mol
Exact Mass483.18
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H28F3N3O3S/c1-27-33(31,32)21-8-5-17(6-9-21)7-10-22(30)28-20-11-13-29(14-12-20)16-18-3-2-4-19(15-18)23(24,25)26/h2-6,8-9,15,20,27H,7,10-14,16H2,1H3,(H,28,30)
InChIKeyZDCOPTJOXYAXDE-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55735412
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
N-methyl-4-[3-oxo-3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 42572717
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 55946647
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946525

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 55945493) is 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is ZDCOPTJOXYAXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3S/c1-27-33(31,32)21-8-5-17(6-9-21)7-10-22(30)28-20-11-13-29(14-12-20)16-18-3-2-4-19(15-18)23(24,25)26/h2-6,8-9,15,20,27H,7,10-14,16H2,1H3,(H,28,30).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 483.56 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55945493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).