N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline

C143H163N13O17S — CID 159308144

About N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline

N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline (PubChem CID 159308144) has the molecular formula C143H163N13O17S and a molecular weight of 2368.02 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
• PubChem CID: 159308144
• Molecular Formula: C143H163N13O17S
• Molecular Weight: 2368.02 g/mol
• Exact Mass: 2366.20
• IUPAC Name: N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C.C.C.CC(CCCc1nn[nH]n1)c1cccc(OCc2ccc3ccccc3n2)c1.CCCC(CCC(=O)O)Oc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)NS(=O)(=O)c1ccccc1.COC(=O)/C=C/CCc1cccc(OCc2ccccc2)c1.O=C(O)/C(=C\c1cccc(OCc2ccccc2)c1)c1ccccc1
• InChI: InChI=1S/C27H26N2O5S.C24H27N5O.C23H25NO4.C22H23N5O.C22H18O3.C19H20O3.6CH4/c1-2-9-26(27(30)29-35(31,32)24-13-4-3-5-14-24)34-23-12-8-11-22(18-23)33-19-21-17-16-20-10-6-7-15-25(20)28-21;1-2-6-18(11-14-24-26-28-29-27-24)15-19-7-5-9-22(16-19)30-17-21-13-12-20-8-3-4-10-23(20)25-21;1-2-6-19(13-14-23(25)26)28-21-9-5-8-20(15-21)27-16-18-12-11-17-7-3-4-10-22(17)24-18;1-16(6-4-11-22-24-26-27-25-22)18-8-5-9-20(14-18)28-15-19-13-12-17-7-2-3-10-21(17)23-19;23-22(24)21(19-11-5-2-6-12-19)15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17;1-21-19(20)13-6-5-8-16-11-7-12-18(14-16)22-15-17-9-3-2-4-10-17;;;;;;/h3-8,10-18,26H,2,9,19H2,1H3,(H,29,30);3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27,28,29);3-5,7-12,15,19H,2,6,13-14,16H2,1H3,(H,25,26);2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25,26,27);1-15H,16H2,(H,23,24);2-4,6-7,9-14H,5,8,15H2,1H3;6*1H4/b;;;;21-15-;13-6+
• InChIKey: LCEKLWHFUUCNHW-VVRIEJIXSA-N
• XLogP: 32.10
• TPSA: 398.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 51
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.02
LogP ≤ 5	32.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The IUPAC name of N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline (CID 159308144) is N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline.

What is the SMILES notation for N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The canonical SMILES for N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline is C.C.C.C.C.C.CC(CCCc1nn[nH]n1)c1cccc(OCc2ccc3ccccc3n2)c1.CCCC(CCC(=O)O)Oc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(CCc1nn[nH]n1)Cc1cccc(OCc2ccc3ccccc3n2)c1.CCCC(Oc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)NS(=O)(=O)c1ccccc1.COC(=O)/C=C/CCc1cccc(OCc2ccccc2)c1.O=C(O)/C(=C\c1cccc(OCc2ccccc2)c1)c1ccccc1.

What is the InChIKey of N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The InChIKey is LCEKLWHFUUCNHW-VVRIEJIXSA-N. The full InChI is InChI=1S/C27H26N2O5S.C24H27N5O.C23H25NO4.C22H23N5O.C22H18O3.C19H20O3.6CH4/c1-2-9-26(27(30)29-35(31,32)24-13-4-3-5-14-24)34-23-12-8-11-22(18-23)33-19-21-17-16-20-10-6-7-15-25(20)28-21;1-2-6-18(11-14-24-26-28-29-27-24)15-19-7-5-9-22(16-19)30-17-21-13-12-20-8-3-4-10-23(20)25-21;1-2-6-19(13-14-23(25)26)28-21-9-5-8-20(15-21)27-16-18-12-11-17-7-3-4-10-22(17)24-18;1-16(6-4-11-22-24-26-27-25-22)18-8-5-9-20(14-18)28-15-19-13-12-17-7-2-3-10-21(17)23-19;23-22(24)21(19-11-5-2-6-12-19)15-18-10-7-13-20(14-18)25-16-17-8-3-1-4-9-17;1-21-19(20)13-6-5-8-16-11-7-12-18(14-16)22-15-17-9-3-2-4-10-17;;;;;;/h3-8,10-18,26H,2,9,19H2,1H3,(H,29,30);3-5,7-10,12-13,16,18H,2,6,11,14-15,17H2,1H3,(H,26,27,28,29);3-5,7-12,15,19H,2,6,13-14,16H2,1H3,(H,25,26);2-3,5,7-10,12-14,16H,4,6,11,15H2,1H3,(H,24,25,26,27);1-15H,16H2,(H,23,24);2-4,6-7,9-14H,5,8,15H2,1H3;6*1H4/b;;;;21-15-;13-6+;;;;;;.

What are the key properties of N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline has a molecular weight of 2368.02 g/mol, XLogP of 32.10, 51 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-[3-(quinolin-2-ylmethoxy)phenoxy]pentanamide;methane;methyl (E)-5-(3-phenylmethoxyphenyl)pent-2-enoate;(Z)-2-phenyl-3-(3-phenylmethoxyphenyl)prop-2-enoic acid;4-[3-(quinolin-2-ylmethoxy)phenoxy]heptanoic acid;2-[[3-[2-[2-(2H-tetrazol-5-yl)ethyl]pentyl]phenoxy]methyl]quinoline;2-[[3-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 159308144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).