(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C26H27F2N3O3S — CID 15984139

IUPAC(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32)/t20-,22+/m0/s1
InChIKeyIEYFPNOCFVJYON-RBBKRZOGSA-N
MW499.58 g/mol
LogP3.17
Rot. Bonds8

About (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 15984139) has the molecular formula C26H27F2N3O3S and a molecular weight of 499.58 g/mol. Its IUPAC name is (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID15984139
Molecular FormulaC26H27F2N3O3S
Molecular Weight499.58 g/mol
Exact Mass499.17
IUPAC Name(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32)/t20-,22+/m0/s1
InChIKeyIEYFPNOCFVJYON-RBBKRZOGSA-N
XLogP3.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3s,5r)-N-(2,2-Diphenylethyl)-5-{[(4-Methylphenyl)sulfonyl]amino}piperidine-3-Carboxamide
CID 11993712
(4R,5R)-5-Amino-1-(4-(methylsulfonyl)phenethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16202787
(4R,5R)-5-amino-1-(3-(methylsulfonyl)phenethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203037
[(3R)-3-aminopyrrolidin-1-yl]-[(2S)-1-[4-(2,5-difluorophenyl)phenyl]sulfonylpiperidin-2-yl]methanone
CID 44570763
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
CID 118728609
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
4-[(4-Fluorobenzenesulfonamido)methyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 5323476
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzenesulfonamide
CID 11362130
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-fluorobenzenesulfonamide
CID 45269976
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluorobenzenesulfonamide
CID 45270806
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-fluorobenzenesulfonamide
CID 45273390

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 15984139) is (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CNC[C@H](NS(=O)(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is IEYFPNOCFVJYON-RBBKRZOGSA-N. The full InChI is InChI=1S/C26H27F2N3O3S/c27-21-11-12-25(24(28)14-21)35(33,34)31-22-13-20(15-29-16-22)26(32)30-17-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,14,20,22-23,29,31H,13,15-17H2,(H,30,32)/t20-,22+/m0/s1.
What are the key properties of (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
(3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(2,4-difluorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 15984139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).