N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

C161H158N6O24S — CID 160960293

IUPACN-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESCCCC(Oc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)cc1.CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1.O=C(CCCOc1cccc(OCc2ccc3ccccc3n2)c1)NS(=O)(=O)c1ccccc1.O=C(O)CCC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)CCCCCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C27H25NO3.C26H24N2O5S.C24H24O3.C22H23NO3.C21H21NO4.C21H21NO3.C20H20O3/c29-27(30)17-13-23(21-6-2-1-3-7-21)18-20-10-15-25(16-11-20)31-19-24-14-12-22-8-4-5-9-26(22)28-24;29-26(28-34(30,31)24-11-2-1-3-12-24)14-7-17-32-22-9-6-10-23(18-22)33-19-21-16-15-20-8-4-5-13-25(20)27-21;1-2-26-24(25)23(21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)27-18-20-9-5-3-6-10-20;24-22(25)12-3-1-2-7-17-8-6-10-20(15-17)26-16-19-14-13-18-9-4-5-11-21(18)23-19;1-2-6-20(21(23)24)26-18-9-5-8-17(13-18)25-14-16-12-11-15-7-3-4-10-19(15)22-16;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-22-20(21)11-7-6-8-17-12-14-19(15-13-17)23-16-18-9-4-3-5-10-18/h1-12,14-16,23H,13,17-19H2,(H,29,30);1-6,8-13,15-16,18H,7,14,17,19H2,(H,28,29);3-16,23H,2,17-18H2,1H3;4-6,8-11,13-15H,1-3,7,12,16H2,(H,24,25);3-5,7-13,20H,2,6,14H2,1H3,(H,23,24);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);3-15H,2,16H2,1H3/b;;;;;;8-6+,11-7+
InChIKeySWXRJYQHBSYIPZ-HMRIJLALSA-N
MW2593.12 g/mol
LogP34.09
Rot. Bonds59

About N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid

N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (PubChem CID 160960293) has the molecular formula C161H158N6O24S and a molecular weight of 2593.12 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
PubChem CID160960293
Molecular FormulaC161H158N6O24S
Molecular Weight2593.12 g/mol
Exact Mass2591.10
IUPAC NameN-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
SMILESCCCC(Oc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)cc1.CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1.O=C(CCCOc1cccc(OCc2ccc3ccccc3n2)c1)NS(=O)(=O)c1ccccc1.O=C(O)CCC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)CCCCCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C27H25NO3.C26H24N2O5S.C24H24O3.C22H23NO3.C21H21NO4.C21H21NO3.C20H20O3/c29-27(30)17-13-23(21-6-2-1-3-7-21)18-20-10-15-25(16-11-20)31-19-24-14-12-22-8-4-5-9-26(22)28-24;29-26(28-34(30,31)24-11-2-1-3-12-24)14-7-17-32-22-9-6-10-23(18-22)33-19-21-16-15-20-8-4-5-13-25(20)27-21;1-2-26-24(25)23(21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)27-18-20-9-5-3-6-10-20;24-22(25)12-3-1-2-7-17-8-6-10-20(15-17)26-16-19-14-13-18-9-4-5-11-21(18)23-19;1-2-6-20(21(23)24)26-18-9-5-8-17(13-18)25-14-16-12-11-15-7-3-4-10-19(15)22-16;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-22-20(21)11-7-6-8-17-12-14-19(15-13-17)23-16-18-9-4-3-5-10-18/h1-12,14-16,23H,13,17-19H2,(H,29,30);1-6,8-13,15-16,18H,7,14,17,19H2,(H,28,29);3-16,23H,2,17-18H2,1H3;4-6,8-11,13-15H,1-3,7,12,16H2,(H,24,25);3-5,7-13,20H,2,6,14H2,1H3,(H,23,24);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);3-15H,2,16H2,1H3/b;;;;;;8-6+,11-7+
InChIKeySWXRJYQHBSYIPZ-HMRIJLALSA-N
XLogP34.09
TPSA412.56 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds59
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002593.12
LogP ≤ 534.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The IUPAC name of N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid (CID 160960293) is N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid.
What is the SMILES notation for N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The canonical SMILES for N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is CCCC(Oc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.CCOC(=O)/C=C/C=C/c1ccc(OCc2ccccc2)cc1.CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccccc1.O=C(CCCOc1cccc(OCc2ccc3ccccc3n2)c1)NS(=O)(=O)c1ccccc1.O=C(O)CCC(Cc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccccc1.O=C(O)CCCCCc1cccc(OCc2ccc3ccccc3n2)c1.O=C(O)CCCCc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
The InChIKey is SWXRJYQHBSYIPZ-HMRIJLALSA-N. The full InChI is InChI=1S/C27H25NO3.C26H24N2O5S.C24H24O3.C22H23NO3.C21H21NO4.C21H21NO3.C20H20O3/c29-27(30)17-13-23(21-6-2-1-3-7-21)18-20-10-15-25(16-11-20)31-19-24-14-12-22-8-4-5-9-26(22)28-24;29-26(28-34(30,31)24-11-2-1-3-12-24)14-7-17-32-22-9-6-10-23(18-22)33-19-21-16-15-20-8-4-5-13-25(20)27-21;1-2-26-24(25)23(21-11-7-4-8-12-21)17-19-13-15-22(16-14-19)27-18-20-9-5-3-6-10-20;24-22(25)12-3-1-2-7-17-8-6-10-20(15-17)26-16-19-14-13-18-9-4-5-11-21(18)23-19;1-2-6-20(21(23)24)26-18-9-5-8-17(13-18)25-14-16-12-11-15-7-3-4-10-19(15)22-16;23-21(24)8-4-1-5-16-9-13-19(14-10-16)25-15-18-12-11-17-6-2-3-7-20(17)22-18;1-2-22-20(21)11-7-6-8-17-12-14-19(15-13-17)23-16-18-9-4-3-5-10-18/h1-12,14-16,23H,13,17-19H2,(H,29,30);1-6,8-13,15-16,18H,7,14,17,19H2,(H,28,29);3-16,23H,2,17-18H2,1H3;4-6,8-11,13-15H,1-3,7,12,16H2,(H,24,25);3-5,7-13,20H,2,6,14H2,1H3,(H,23,24);2-3,6-7,9-14H,1,4-5,8,15H2,(H,23,24);3-15H,2,16H2,1H3/b;;;;;;8-6+,11-7+.
What are the key properties of N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid?
N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid has a molecular weight of 2593.12 g/mol, XLogP of 34.09, 59 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-[3-(quinolin-2-ylmethoxy)phenoxy]butanamide;ethyl (2E,4E)-5-(4-phenylmethoxyphenyl)penta-2,4-dienoate;ethyl 2-phenyl-3-(4-phenylmethoxyphenyl)propanoate;4-phenyl-5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanoic acid;6-[3-(quinolin-2-ylmethoxy)phenyl]hexanoic acid;5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 160960293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).