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

C27H31N3O3S — CID 11993712

IUPAC(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1
InChIKeyTUYPQRDSHLXMFM-BJKOFHAPSA-N
MW477.63 g/mol
LogP3.20
Rot. Bonds8

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

(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide (PubChem CID 11993712) has the molecular formula C27H31N3O3S and a molecular weight of 477.63 g/mol. Its IUPAC name is (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
PubChem CID11993712
Molecular FormulaC27H31N3O3S
Molecular Weight477.63 g/mol
Exact Mass477.21
IUPAC Name(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CNC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1
InChIKeyTUYPQRDSHLXMFM-BJKOFHAPSA-N
XLogP3.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide?
The IUPAC name of (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide (CID 11993712) is (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide?
The canonical SMILES for (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide is Cc1ccc(S(=O)(=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-methylphenyl)sulfonylamino]piperidine-3-carboxamide?
The InChIKey is TUYPQRDSHLXMFM-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H31N3O3S/c1-20-12-14-25(15-13-20)34(32,33)30-24-16-23(17-28-18-24)27(31)29-19-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23-24,26,28,30H,16-19H2,1H3,(H,29,31)/t23-,24+/m0/s1.
What are the key properties of (3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide?
(3S,5R)-N-(2,2-diphenylethyl)-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide has a molecular weight of 477.63 g/mol, XLogP of 3.20, 8 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-methylphenyl)sulfonylamino]piperidine-3-carboxamide is sourced from PubChem (CID 11993712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).