N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C23H29F3N2O4S — CID 164862554

IUPACN-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29F3N2O4S/c1-2-16-31-19-12-14-28(15-13-19)17-22(18-6-4-3-5-7-18)27-33(29,30)21-10-8-20(9-11-21)32-23(24,25)26/h3-11,19,22,27H,2,12-17H2,1H3/t22-/m0/s1
InChIKeyLNOGESBQIZIHNT-QFIPXVFZSA-N
MW486.56 g/mol
LogP4.50
Rot. Bonds10

About N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862554) has the molecular formula C23H29F3N2O4S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862554
Molecular FormulaC23H29F3N2O4S
Molecular Weight486.56 g/mol
Exact Mass486.18
IUPAC NameN-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H29F3N2O4S/c1-2-16-31-19-12-14-28(15-13-19)17-22(18-6-4-3-5-7-18)27-33(29,30)21-10-8-20(9-11-21)32-23(24,25)26/h3-11,19,22,27H,2,12-17H2,1H3/t22-/m0/s1
InChIKeyLNOGESBQIZIHNT-QFIPXVFZSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(1R)-1-phenyl-2-(4-prop-2-enoxypiperidin-1-yl)ethyl]benzenesulfonamide
CID 97252220
N-[(1S)-1-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862427
N-[(1S)-2-[3-(azetidin-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170764866
N-[2-[3-(azetidin-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170764966
4-methoxy-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844917
[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamic acid
CID 170430265
1-methyl-N-[2-phenyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]pyrrole-3-sulfonamide
CID 170430990
N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-piperazin-1-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862553
4-tert-butyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845033
N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862580
N-[2-(4-ethyl-4-hydroxypiperidin-1-yl)-1-phenylethyl]-4-methylbenzenesulfonamide
CID 75437835

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862554) is N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is CCCOC1CCN(C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LNOGESBQIZIHNT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29F3N2O4S/c1-2-16-31-19-12-14-28(15-13-19)17-22(18-6-4-3-5-7-18)27-33(29,30)21-10-8-20(9-11-21)32-23(24,25)26/h3-11,19,22,27H,2,12-17H2,1H3/t22-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 486.56 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-(4-propoxypiperidin-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).