(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide

C29H33N3O3S — CID 70316499

IUPAC(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide
SMILESCC(=O)Cc1ccc(S(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C29H33N3O3S/c1-21(33)16-22-12-14-27(15-13-22)36(35)32-26-17-25(18-30-19-26)29(34)31-20-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-26,28,30,32H,16-20H2,1H3,(H,31,34)/t25-,26+,36?/m0/s1
InChIKeyIOFXRLNRFIUZKK-LWXZEJNJSA-N
MW503.67 g/mol
LogP3.36
Rot. Bonds10

About (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide

(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide (PubChem CID 70316499) has the molecular formula C29H33N3O3S and a molecular weight of 503.67 g/mol. Its IUPAC name is (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide
PubChem CID70316499
Molecular FormulaC29H33N3O3S
Molecular Weight503.67 g/mol
Exact Mass503.22
IUPAC Name(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide
SMILESCC(=O)Cc1ccc(S(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C29H33N3O3S/c1-21(33)16-22-12-14-27(15-13-22)36(35)32-26-17-25(18-30-19-26)29(34)31-20-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-26,28,30,32H,16-20H2,1H3,(H,31,34)/t25-,26+,36?/m0/s1
InChIKeyIOFXRLNRFIUZKK-LWXZEJNJSA-N
XLogP3.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide with MolForge

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Related Compounds

5-[(3-chlorophenyl)methylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73211705
N-(2,2-diphenylethyl)-5-[(4-phenoxyphenyl)sulfanylamino]piperidine-3-carboxamide
CID 143390445
(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,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
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 73214828
(3S,5R)-5-[(2-chlorophenyl)sulfonylamino]-N-(2,2-diphenylethyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157493547
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-3-carboxamide
CID 15985002
(3S,5R)-N-(2,2-diphenylethyl)-5-(naphthalen-2-ylsulfonylamino)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 160929581
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
(3S,5R)-5-[(4-methylphenyl)sulfonylamino]-N-(2-phenyl-2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 15984328

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide (CID 70316499) is (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide is CC(=O)Cc1ccc(S(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
The InChIKey is IOFXRLNRFIUZKK-LWXZEJNJSA-N. The full InChI is InChI=1S/C29H33N3O3S/c1-21(33)16-22-12-14-27(15-13-22)36(35)32-26-17-25(18-30-19-26)29(34)31-20-28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25-26,28,30,32H,16-20H2,1H3,(H,31,34)/t25-,26+,36?/m0/s1.
What are the key properties of (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide?
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide has a molecular weight of 503.67 g/mol, XLogP of 3.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(2-oxopropyl)phenyl]sulfinylamino]piperidine-3-carboxamide is sourced from PubChem (CID 70316499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).