(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide

C27H28FN3O3S — CID 118728609

IUPAC(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
SMILESO=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C27H28FN3O3S/c28-21-13-15-23(16-14-21)35(33,34)30-22-12-7-17-31(18-22)27(32)29-26-24(19-8-3-1-4-9-19)25(26)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24-26,30H,7,12,17-18H2,(H,29,32)/t22-,24-,25+,26?/m1/s1
InChIKeyWHPCZTNMANZIAX-XQJFJSCZSA-N
MW493.60 g/mol
LogP4.23
Rot. Bonds6

About (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide

(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide (PubChem CID 118728609) has the molecular formula C27H28FN3O3S and a molecular weight of 493.60 g/mol. Its IUPAC name is (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
PubChem CID118728609
Molecular FormulaC27H28FN3O3S
Molecular Weight493.60 g/mol
Exact Mass493.18
IUPAC Name(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide
SMILESO=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C27H28FN3O3S/c28-21-13-15-23(16-14-21)35(33,34)30-22-12-7-17-31(18-22)27(32)29-26-24(19-8-3-1-4-9-19)25(26)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24-26,30H,7,12,17-18H2,(H,29,32)/t22-,24-,25+,26?/m1/s1
InChIKeyWHPCZTNMANZIAX-XQJFJSCZSA-N
XLogP4.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-benzyl-urea
CID 478440
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[(phenylmethyl)amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478445
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1R)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478446
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1S)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478447
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
US10233152, Example 60
CID 129279668
N-[(4-fluorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9207931
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 24981493
N-[(1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexyl]benzenesulfonamide
CID 164625903
4-[4-(dimethylsulfamoyl)phenyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 142727584

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide (CID 118728609) is (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide is O=C(NC1[C@@H](c2ccccc2)[C@H]1c1ccccc1)N1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
The InChIKey is WHPCZTNMANZIAX-XQJFJSCZSA-N. The full InChI is InChI=1S/C27H28FN3O3S/c28-21-13-15-23(16-14-21)35(33,34)30-22-12-7-17-31(18-22)27(32)29-26-24(19-8-3-1-4-9-19)25(26)20-10-5-2-6-11-20/h1-6,8-11,13-16,22,24-26,30H,7,12,17-18H2,(H,29,32)/t22-,24-,25+,26?/m1/s1.
What are the key properties of (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide?
(3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R,3S)-2,3-diphenylcyclopropyl]-3-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxamide is sourced from PubChem (CID 118728609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).