(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide

C26H30N4O3S — CID 15984328

IUPAC(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccn3)C2)cc1
InChIInChI=1S/C26H30N4O3S/c1-19-10-12-23(13-11-19)34(32,33)30-22-15-21(16-27-17-22)26(31)29-18-24(20-7-3-2-4-8-20)25-9-5-6-14-28-25/h2-14,21-22,24,27,30H,15-18H2,1H3,(H,29,31)/t21-,22+,24?/m0/s1
InChIKeyJSLZQBWGPRMWIO-JCVDRHSJSA-N
MW478.62 g/mol
LogP2.59
Rot. Bonds8

About (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 15984328) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID15984328
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccn3)C2)cc1
InChIInChI=1S/C26H30N4O3S/c1-19-10-12-23(13-11-19)34(32,33)30-22-15-21(16-27-17-22)26(31)29-18-24(20-7-3-2-4-8-20)25-9-5-6-14-28-25/h2-14,21-22,24,27,30H,15-18H2,1H3,(H,29,31)/t21-,22+,24?/m0/s1
InChIKeyJSLZQBWGPRMWIO-JCVDRHSJSA-N
XLogP2.59
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211623
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-3-carboxamide
CID 15985002
(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 91046890
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581
(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 90767512
(3S,5R)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158286897
(3S,5R)-5-[(2-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157493547
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 15984328) is (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccn3)C2)cc1.
What is the InChIKey of (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is JSLZQBWGPRMWIO-JCVDRHSJSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-19-10-12-23(13-11-19)34(32,33)30-22-15-21(16-27-17-22)26(31)29-18-24(20-7-3-2-4-8-20)25-9-5-6-14-28-25/h2-14,21-22,24,27,30H,15-18H2,1H3,(H,29,31)/t21-,22+,24?/m0/s1.
What are the key properties of (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 15984328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).