Found 142 results

Search term: MF = 'C_{30}H_{39}N_{5}O_{4}S'
ChemSpider 2D Image | N-[(2S)-3-(4-Aminophenyl)-1-(4-ethyl-1-piperidinyl)-1-oxo-2-propanyl]-4-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-3-pyridinesulfonamide | C30H39N5O4S

N-[(2S)-3-(4-Aminophenyl)-1-(4-ethyl-1-piperidinyl)-1-oxo-2-propanyl]-4-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-3-pyridinesulfonamide

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID23201938

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinesulfonamide, N-[(1S)-1-[(4-aminophenyl)methyl]-2-(4-ethyl-1-piperidinyl)-2-oxoethyl]-4-[[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]amino]- [ACD/Index Name]
N-[(2S)-3-(4-Aminophenyl)-1-(4-ethyl-1-piperidinyl)-1-oxo-2-propanyl]-4-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-3-pyridinesulfonamide [ACD/IUPAC Name]
N-[(2S)-3-(4-Aminophényl)-1-(4-éthyl-1-pipéridinyl)-1-oxo-2-propanyl]-4-{[(2S)-1-hydroxy-3-phényl-2-propanyl]amino}-3-pyridinesulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-3-(4-Aminophenyl)-1-(4-ethyl-1-piperidinyl)-1-oxo-2-propanyl]-4-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}pyridine-3-sulfonamide
4-((S)-1-Hydroxymethyl-2-phenyl-ethylamino)-pyridine-3-sulfonic acid [(S)-1-(4-amino-benzyl)-2-(4-ethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
CHEMBL118545

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 834.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 458.7±37.1 °C
Index of Refraction: 1.624
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 833.68
ACD/KOC (pH 5.5): 4051.76
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 932.70
ACD/KOC (pH 7.4): 4532.98
Polar Surface Area: 146 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

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