N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide

C32H33N3O2S — CID 143390445

IUPACN-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NSc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C32H33N3O2S/c36-32(34-23-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25)26-20-27(22-33-21-26)35-38-30-18-16-29(17-19-30)37-28-14-8-3-9-15-28/h1-19,26-27,31,33,35H,20-23H2,(H,34,36)
InChIKeyIVDOXXOZCIIENS-UHFFFAOYSA-N
MW523.70 g/mol
LogP6.00
Rot. Bonds10

About N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide

N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide (PubChem CID 143390445) has the molecular formula C32H33N3O2S and a molecular weight of 523.70 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide
PubChem CID143390445
Molecular FormulaC32H33N3O2S
Molecular Weight523.70 g/mol
Exact Mass523.23
IUPAC NameN-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NSc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C32H33N3O2S/c36-32(34-23-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25)26-20-27(22-33-21-26)35-38-30-18-16-29(17-19-30)37-28-14-8-3-9-15-28/h1-19,26-27,31,33,35H,20-23H2,(H,34,36)
InChIKeyIVDOXXOZCIIENS-UHFFFAOYSA-N
XLogP6.00
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.70
LogP ≤ 56.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-3-carboxamide
CID 15985002
5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211705
(3S,5S)-5-[(2-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 90767512
(3S,5S)-5-[(3-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 91046890
5-[(4-cyanophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211623
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide
CID 70316499
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581
(3S,5R)-5-[(2-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157493547
(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide (CID 143390445) is N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)C1CNCC(NSc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide?
The InChIKey is IVDOXXOZCIIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2S/c36-32(34-23-31(24-10-4-1-5-11-24)25-12-6-2-7-13-25)26-20-27(22-33-21-26)35-38-30-18-16-29(17-19-30)37-28-14-8-3-9-15-28/h1-19,26-27,31,33,35H,20-23H2,(H,34,36).
What are the key properties of N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide?
N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide has a molecular weight of 523.70 g/mol, XLogP of 6.00, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide is sourced from PubChem (CID 143390445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).