0X0

2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide

Created:2016-12-16
Last modified:  2017-07-05

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count67
Aromatic Bond Count12
2D diagram of 0X0
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Chemical Component Summary

Name2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide
Systematic Name (OpenEye OEToolkits)2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide
FormulaC24 H34 N2 O5 S
Molecular Weight462.602
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(c1ccc(cc1)C)(=O)N(CC(NC(C(C)C)C(C)C)=O)c2ccc(c(c2)OC)OC
SMILESCACTVS3.385COc1ccc(cc1OC)N(CC(=O)NC(C(C)C)C(C)C)[S](=O)(=O)c2ccc(C)cc2
SMILESOpenEye OEToolkits1.7.6Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC
Canonical SMILESCACTVS3.385 COc1ccc(cc1OC)N(CC(=O)NC(C(C)C)C(C)C)[S](=O)(=O)c2ccc(C)cc2
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1ccc(cc1)S(=O)(=O)[N@@](CC(=O)NC(C(C)C)C(C)C)c2ccc(c(c2)OC)OC
InChIInChI1.03 InChI=1S/C24H34N2O5S/c1-16(2)24(17(3)4)25-23(27)15-26(19-10-13-21(30-6)22(14-19)31-7)32(28,29)20-11-8-18(5)9-12-20/h8-14,16-17,24H,15H2,1-7H3,(H,25,27)
InChIKeyInChI1.03 WYLSGWZVDHQRNX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1809152