(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide

C27H28F3N3O2S — CID 70319544

IUPAC(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H28F3N3O2S/c28-27(29,30)22-12-7-13-24(15-22)36(35)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34)/t21-,23+,36?/m0/s1
InChIKeyJNZZBTMOGHSPCP-XJYMZFCHSA-N
MW515.60 g/mol
LogP4.24
Rot. Bonds8

About (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide

(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide (PubChem CID 70319544) has the molecular formula C27H28F3N3O2S and a molecular weight of 515.60 g/mol. Its IUPAC name is (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide
PubChem CID70319544
Molecular FormulaC27H28F3N3O2S
Molecular Weight515.60 g/mol
Exact Mass515.19
IUPAC Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C27H28F3N3O2S/c28-27(29,30)22-12-7-13-24(15-22)36(35)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34)/t21-,23+,36?/m0/s1
InChIKeyJNZZBTMOGHSPCP-XJYMZFCHSA-N
XLogP4.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide (CID 70319544) is (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The InChIKey is JNZZBTMOGHSPCP-XJYMZFCHSA-N. The full InChI is InChI=1S/C27H28F3N3O2S/c28-27(29,30)22-12-7-13-24(15-22)36(35)33-23-14-21(16-31-17-23)26(34)32-18-25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,15,21,23,25,31,33H,14,16-18H2,(H,32,34)/t21-,23+,36?/m0/s1.
What are the key properties of (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
(3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide has a molecular weight of 515.60 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(2,2-diphenylethyl)-5-[[3-(trifluoromethyl)phenyl]sulfinylamino]piperidine-3-carboxamide is sourced from PubChem (CID 70319544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).