5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide

C27H28N4O3S — CID 73211623

IUPAC5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CNCC(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N4O3S/c28-16-20-11-13-25(14-12-20)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23-24,26,29,31H,15,17-19H2,(H,30,32)
InChIKeySZPOLURDOPGYOT-UHFFFAOYSA-N
MW488.61 g/mol
LogP2.76
Rot. Bonds8

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

5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (PubChem CID 73211623) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
PubChem CID73211623
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CNCC(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N4O3S/c28-16-20-11-13-25(14-12-20)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23-24,26,29,31H,15,17-19H2,(H,30,32)
InChIKeySZPOLURDOPGYOT-UHFFFAOYSA-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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Related Compounds

(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 90767512
(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
(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
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581
(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 15984328
(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
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The IUPAC name of 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide (CID 73211623) is 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is N#Cc1ccc(S(=O)(=O)NC2CNCC(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
The InChIKey is SZPOLURDOPGYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c28-16-20-11-13-25(14-12-20)35(33,34)31-24-15-23(17-29-18-24)27(32)30-19-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,23-24,26,29,31H,15,17-19H2,(H,30,32).
What are the key properties of 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide?
5-[(4-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 5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 73211623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).