1-[2-(3-Biphenyl)-4-Methylvaleryl)]Amino-3-(2-Pyridylsulfonyl)Amino-2-Propanone

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 2.81 ALOGPS
logS -5.3 ALOGPS
Water Solubility 2.52e-03 g/l ALOGPS
logP 3.77 ChemAxon
IUPAC Name (2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide ChemAxon
Traditional IUPAC Name (2R)-N-[(2S)-2-hydroxy-3-(pyridine-2-sulfonamido)propyl]-4-methyl-2-(3-phenylphenyl)pentanamide ChemAxon
Molecular Weight 481.607 ChemAxon
Monoisotopic Weight 481.203527185 ChemAxon
SMILES CC(C)C[C@@H](C(=O)NC[C@H](O)CNS(=O)(=O)C1=CC=CC=N1)C1=CC=CC(=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C26H31N3O4S ChemAxon
InChI InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1 ChemAxon
InChIKey InChIKey=YCDHZDINQZLSRR-BJKOFHAPSA-N ChemAxon
Polar Surface Area (PSA) 108.39 ChemAxon
Refractivity 132.81 ChemAxon
Polarizability 52.21 ChemAxon
Rotatable Bond Count 10 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 8.86 ChemAxon
pKa (strongest basic) -0.83 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Cathepsin K : in Human