N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide

• ChemBase ID: 859210
• Molecular Formular: C21H24N4O5S2
• Molecular Mass: 476.56906
• Monoisotopic Mass: 476.11881189
• SMILES: S(=O)(=O)(c1cc(C(=O)N(Cc2nnc(o2)C)C)cc(c2sc(cc2)C)c1)N1CCOCC1
• Canonical SMILES: Cc1ccc(s1)c1cc(cc(c1)S(=O)(=O)N1CCOCC1)C(=O)N(Cc1nnc(o1)C)C
• InChI: InChI=1S/C21H24N4O5S2/c1-14-4-5-19(31-14)16-10-17(21(26)24(3)13-20-23-22-15(2)30-20)12-18(11-16)32(27,28)25-6-8-29-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3
• InChIKey: GDMVLHMYDMVNOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylthiophen-2-yl)-5-(morpholine-4-sulfonyl)benzamide
• Synonyms: N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methyl-2-thienyl)-5-(4-morpholinylsulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0784988
• LogD (pH = 7.4): 1.078499
• Log P: 1.078499
• Molar Refractivity: 122.3439 cm^3
• Polarizability: 47.36186 Å^3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 1.13
• LOG S: -3.88
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5