Oprea1_025184,Oprea1_548928,ZINC02978385,ChemBridge CNSSet 6382507, 4化学物质数据库

当前位置:首页资料化学物质数据库Oprea1_025184,Oprea1_548928,ZINC02978385,ChemBridgeCNS-Set6382507,4Oprea1_025184,Oprea1_548928,ZINC02978385,ChemBridgeCNS-Set6382507,4更新日期：2018-11-22浏览次数：7
摘要：Oprea1_025184,Oprea1_548928,ZINC02978385,ChemBridgeCNS-Set6382507,4,N-cyclopropyl-2-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylamino],acetamide,CanonicalSMILES:CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC=C(C=C3)OC,InChI:InChI=1/C19H22N2O4S/c1-[Synonyms]
Oprea1_025184
Oprea1_548928
ZINC02978385
ChemBridgeCNS-Set6382507,4

[Structure]

[PropertiesComputedfromStructure]
MolecularWeight374.45398[g/mol]MolecularFormulaC19H22N2O4SXLogP3.3H-BondDonor1H-BondAcceptor5RotatableBondCount7TautomerCount2ExactMass374.130028MonoIsotopicMass374.130028TopologicalPolarSurfaceArea75.7HeavyAtomCount26FormalCharge0Complexity569IsotopeAtomCount0DefinedAtomStereoCenterCount0UndefinedAtomStereoCenterCount0DefinedBondStereoCenterCount0UndefinedBondStereoCenterCount0Covalently-BondedUnitCount1[DescriptorsComputedfromStructure]
IUPACName:N-cyclopropyl-2-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylamino]
acetamide
CanonicalSMILES:CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CC2)C3=CC=C(C=C3)OC
InChI:InChI=1/C19H22N2O4S/c1-14-3-11-18(12-4-14)26(23,
24)21(13-19(22)20-15-5-6-15)16-7-9-17(25-2)10-8-16/h3-4,7-12,15H,5-6,
13H2,1-2H3,(H,20,22)/f/h20H