N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride

C113H97ClN6O19S2 — CID 158063559

IUPACN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)CCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C31H26N2O6S.C27H25NO3.C24H19NO4.ClH/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;29-27(30)16-14-23(21-8-2-1-3-9-21)17-20-7-6-11-25(18-20)31-19-24-15-13-22-10-4-5-12-26(22)28-24;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;/h2*2-19H,20-21H2,1H3,(H,33,34);1-13,15,18,23H,14,16-17,19H2,(H,29,30);1-14H,15-16H2,(H,26,27);1H
InChIKeyWTTXYEIHKTYYRF-UHFFFAOYSA-N
MW1942.63 g/mol
LogP22.56
Rot. Bonds36

About N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride (PubChem CID 158063559) has the molecular formula C113H97ClN6O19S2 and a molecular weight of 1942.63 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
PubChem CID158063559
Molecular FormulaC113H97ClN6O19S2
Molecular Weight1942.63 g/mol
Exact Mass1940.59
IUPAC NameN-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)CCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/2C31H26N2O6S.C27H25NO3.C24H19NO4.ClH/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;29-27(30)16-14-23(21-8-2-1-3-9-21)17-20-7-6-11-25(18-20)31-19-24-15-13-22-10-4-5-12-26(22)28-24;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;/h2*2-19H,20-21H2,1H3,(H,33,34);1-13,15,18,23H,14,16-17,19H2,(H,29,30);1-14H,15-16H2,(H,26,27);1H
InChIKeyWTTXYEIHKTYYRF-UHFFFAOYSA-N
XLogP22.56
TPSA335.71 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.63
LogP ≤ 522.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride with MolForge

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Related Compounds

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;3-[4-chloro-2-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[2-chloro-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]-2-phenylacetic acid;2-[2-methyl-6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;5-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]hexan-2-one
CID 90928088
N-(benzenesulfinyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;ethane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;prop-1-ene
CID 142024021
[2-[[3-[[4-(Benzenesulfonylcarbamoyl)-2-methoxyphenoxy]methyl]phenoxy]methyl]quinolin-6-yl]methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 142024049
N-(benzenesulfinyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;ethane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;bis(prop-1-ene)
CID 142024146
bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
CID 157969610
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 158333991
bis(N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide);methane;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
CID 158496067
3-Methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid;4-methyl-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
CID 159671064
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methane;3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;methyl 3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate;methyl 3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoate;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride
CID 159743303
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;methane;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
CID 160383621
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
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;3-(carboxymethoxy)-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;methane;4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-[[3-[[3-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline;hydrochloride
CID 161402313

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride (CID 158063559) is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride.
What is the SMILES notation for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The canonical SMILES for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride is COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1COc1cccc(OCc2ccc3ccccc3n2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.Cl.O=C(O)CCC(Cc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.O=C(O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
The InChIKey is WTTXYEIHKTYYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H26N2O6S.C27H25NO3.C24H19NO4.ClH/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-37-30-18-23(31(34)33-40(35,36)28-11-3-2-4-12-28)14-15-24(30)20-38-26-9-7-10-27(19-26)39-21-25-17-16-22-8-5-6-13-29(22)32-25;29-27(30)16-14-23(21-8-2-1-3-9-21)17-20-7-6-11-25(18-20)31-19-24-15-13-22-10-4-5-12-26(22)28-24;26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20;/h2*2-19H,20-21H2,1H3,(H,33,34);1-13,15,18,23H,14,16-17,19H2,(H,29,30);1-14H,15-16H2,(H,26,27);1H.
What are the key properties of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride?
N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride has a molecular weight of 1942.63 g/mol, XLogP of 22.56, 36 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzamide;N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;4-phenyl-5-[3-(quinolin-2-ylmethoxy)phenyl]pentanoic acid;3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 158063559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).