N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

C23H27F3N2O3S — CID 11213523

IUPACN-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2O3S/c1-2-16-32(30,31)28-14-12-22(13-15-28,19-6-4-3-5-7-19)17-27-21(29)18-8-10-20(11-9-18)23(24,25)26/h3-11H,2,12-17H2,1H3,(H,27,29)
InChIKeyGMXKOGCMRQNWIU-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.21
Rot. Bonds7

About N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide

N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 11213523) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID11213523
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H27F3N2O3S/c1-2-16-32(30,31)28-14-12-22(13-15-28,19-6-4-3-5-7-19)17-27-21(29)18-8-10-20(11-9-18)23(24,25)26/h3-11H,2,12-17H2,1H3,(H,27,29)
InChIKeyGMXKOGCMRQNWIU-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 11213523) is N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1.
What is the InChIKey of N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GMXKOGCMRQNWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-2-16-32(30,31)28-14-12-22(13-15-28,19-6-4-3-5-7-19)17-27-21(29)18-8-10-20(11-9-18)23(24,25)26/h3-11H,2,12-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 468.54 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1-propylsulfonylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 11213523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).