(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C27H28N4O3S — CID 90767512

IUPAC(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H]1CNC[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H28N4O3S/c28-16-22-13-7-8-14-26(22)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,29,31H,15,17-19H2,(H,30,32)/t23-,24-/m0/s1
InChIKeyYXCMCRSRVFNVLS-ZEQRLZLVSA-N
MW488.61 g/mol
LogP2.76
Rot. Bonds8

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

(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 90767512) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID90767512
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESN#Cc1ccccc1S(=O)(=O)N[C@@H]1CNC[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C27H28N4O3S/c28-16-22-13-7-8-14-26(22)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,29,31H,15,17-19H2,(H,30,32)/t23-,24-/m0/s1
InChIKeyYXCMCRSRVFNVLS-ZEQRLZLVSA-N
XLogP2.76
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 90767512) is (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is N#Cc1ccccc1S(=O)(=O)N[C@@H]1CNC[C@@H](C(=O)NCC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is YXCMCRSRVFNVLS-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H28N4O3S/c28-16-22-13-7-8-14-26(22)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23-25,29,31H,15,17-19H2,(H,30,32)/t23-,24-/m0/s1.
What are the key properties of (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 90767512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).