3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

C189H190N14O41S9 — CID 159972645

IUPAC3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESCN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CNC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.COCCN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CS(=O)(=O)CCCOc1ccc(OC2C=C(COc3ccc(C4=CC(=O)NS4=O)cc3)CCC2)cn1.Cc1nc(OCCC(C)(C)O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.Cc1nc(OCCCS(C)(=O)=O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(Oc5cccc(C(=O)N6CCCC6)c5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C29H28N2O6S.C29H26N2O5S.C27H32N2O6S.C27H24N2O5S.C26H30N2O7S2.C26H22N2O5S.C25H28N2O7S2/c1-31(15-16-35-2)29(33)20-5-3-6-22(17-20)37-25-8-4-7-23-24(25)13-14-26(23)36-21-11-9-19(10-12-21)27-18-28(32)30-38(27)34;32-28-18-27(37(34)30-28)19-9-11-21(12-10-19)35-26-14-13-24-23(26)7-4-8-25(24)36-22-6-3-5-20(17-22)29(33)31-15-1-2-16-31;1-18-23(11-12-26(28-18)33-14-13-27(2,3)31)35-22-6-4-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(30)29-36(24)32;1-29(2)27(31)18-5-3-6-20(15-18)34-23-8-4-7-21-22(23)13-14-24(21)33-19-11-9-17(10-12-19)25-16-26(30)28-35(25)32;1-18-23(11-12-26(27-18)33-13-4-14-37(2,31)32)35-22-6-3-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(29)28-36(24)30;1-27-26(30)17-4-2-5-19(14-17)33-22-7-3-6-20-21(22)12-13-23(20)32-18-10-8-16(9-11-18)24-15-25(29)28-34(24)31;1-36(30,31)13-3-12-32-25-11-10-22(16-26-25)34-21-5-2-4-18(14-21)17-33-20-8-6-19(7-9-20)23-15-24(28)27-35(23)29/h3-12,17-18,26H,13-16H2,1-2H3,(H,30,32);3-12,17-18,26H,1-2,13-16H2,(H,30,32);7-12,15-16,22,31H,4-6,13-14,17H2,1-3H3,(H,29,30);3-12,15-16,24H,13-14H2,1-2H3,(H,28,30);7-12,15-16,22H,3-6,13-14,17H2,1-2H3,(H,28,29);2-11,14-15,23H,12-13H2,1H3,(H,27,30)(H,28,29);6-11,14-16,21H,2-5,12-13,17H2,1H3,(H,27,28)/t26-,38?;26-,37?;;24-,35?;;23-,34?;/m11.1.1./s1
InChIKeyOETCHRVJJJCZHQ-ZRVCCHJFSA-N
MW3602.26 g/mol
LogP27.98
Rot. Bonds59

About 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one

3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (PubChem CID 159972645) has the molecular formula C189H190N14O41S9 and a molecular weight of 3602.26 g/mol. Its IUPAC name is 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
PubChem CID159972645
Molecular FormulaC189H190N14O41S9
Molecular Weight3602.26 g/mol
Exact Mass3599.07
IUPAC Name3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
SMILESCN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CNC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.COCCN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CS(=O)(=O)CCCOc1ccc(OC2C=C(COc3ccc(C4=CC(=O)NS4=O)cc3)CCC2)cn1.Cc1nc(OCCC(C)(C)O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.Cc1nc(OCCCS(C)(=O)=O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(Oc5cccc(C(=O)N6CCCC6)c5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C29H28N2O6S.C29H26N2O5S.C27H32N2O6S.C27H24N2O5S.C26H30N2O7S2.C26H22N2O5S.C25H28N2O7S2/c1-31(15-16-35-2)29(33)20-5-3-6-22(17-20)37-25-8-4-7-23-24(25)13-14-26(23)36-21-11-9-19(10-12-21)27-18-28(32)30-38(27)34;32-28-18-27(37(34)30-28)19-9-11-21(12-10-19)35-26-14-13-24-23(26)7-4-8-25(24)36-22-6-3-5-20(17-22)29(33)31-15-1-2-16-31;1-18-23(11-12-26(28-18)33-14-13-27(2,3)31)35-22-6-4-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(30)29-36(24)32;1-29(2)27(31)18-5-3-6-20(15-18)34-23-8-4-7-21-22(23)13-14-24(21)33-19-11-9-17(10-12-19)25-16-26(30)28-35(25)32;1-18-23(11-12-26(27-18)33-13-4-14-37(2,31)32)35-22-6-3-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(29)28-36(24)30;1-27-26(30)17-4-2-5-19(14-17)33-22-7-3-6-20-21(22)12-13-23(20)32-18-10-8-16(9-11-18)24-15-25(29)28-34(24)31;1-36(30,31)13-3-12-32-25-11-10-22(16-26-25)34-21-5-2-4-18(14-21)17-33-20-8-6-19(7-9-20)23-15-24(28)27-35(23)29/h3-12,17-18,26H,13-16H2,1-2H3,(H,30,32);3-12,17-18,26H,1-2,13-16H2,(H,30,32);7-12,15-16,22,31H,4-6,13-14,17H2,1-3H3,(H,29,30);3-12,15-16,24H,13-14H2,1-2H3,(H,28,30);7-12,15-16,22H,3-6,13-14,17H2,1-2H3,(H,28,29);2-11,14-15,23H,12-13H2,1H3,(H,27,30)(H,28,29);6-11,14-16,21H,2-5,12-13,17H2,1H3,(H,27,28)/t26-,38?;26-,37?;;24-,35?;;23-,34?;/m11.1.1./s1
InChIKeyOETCHRVJJJCZHQ-ZRVCCHJFSA-N
XLogP27.98
TPSA706.54 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds59
Heavy Atoms253
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003602.26
LogP ≤ 527.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The IUPAC name of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one (CID 159972645) is 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one.
What is the SMILES notation for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The canonical SMILES for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is CN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CNC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.COCCN(C)C(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.CS(=O)(=O)CCCOc1ccc(OC2C=C(COc3ccc(C4=CC(=O)NS4=O)cc3)CCC2)cn1.Cc1nc(OCCC(C)(C)O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.Cc1nc(OCCCS(C)(=O)=O)ccc1OC1C=C(COc2ccc(C3=CC(=O)NS3=O)cc2)CCC1.O=C1C=C(c2ccc(O[C@@H]3CCc4c(Oc5cccc(C(=O)N6CCCC6)c5)cccc43)cc2)S(=O)N1.
What is the InChIKey of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
The InChIKey is OETCHRVJJJCZHQ-ZRVCCHJFSA-N. The full InChI is InChI=1S/C29H28N2O6S.C29H26N2O5S.C27H32N2O6S.C27H24N2O5S.C26H30N2O7S2.C26H22N2O5S.C25H28N2O7S2/c1-31(15-16-35-2)29(33)20-5-3-6-22(17-20)37-25-8-4-7-23-24(25)13-14-26(23)36-21-11-9-19(10-12-21)27-18-28(32)30-38(27)34;32-28-18-27(37(34)30-28)19-9-11-21(12-10-19)35-26-14-13-24-23(26)7-4-8-25(24)36-22-6-3-5-20(17-22)29(33)31-15-1-2-16-31;1-18-23(11-12-26(28-18)33-14-13-27(2,3)31)35-22-6-4-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(30)29-36(24)32;1-29(2)27(31)18-5-3-6-20(15-18)34-23-8-4-7-21-22(23)13-14-24(21)33-19-11-9-17(10-12-19)25-16-26(30)28-35(25)32;1-18-23(11-12-26(27-18)33-13-4-14-37(2,31)32)35-22-6-3-5-19(15-22)17-34-21-9-7-20(8-10-21)24-16-25(29)28-36(24)30;1-27-26(30)17-4-2-5-19(14-17)33-22-7-3-6-20-21(22)12-13-23(20)32-18-10-8-16(9-11-18)24-15-25(29)28-34(24)31;1-36(30,31)13-3-12-32-25-11-10-22(16-26-25)34-21-5-2-4-18(14-21)17-33-20-8-6-19(7-9-20)23-15-24(28)27-35(23)29/h3-12,17-18,26H,13-16H2,1-2H3,(H,30,32);3-12,17-18,26H,1-2,13-16H2,(H,30,32);7-12,15-16,22,31H,4-6,13-14,17H2,1-3H3,(H,29,30);3-12,15-16,24H,13-14H2,1-2H3,(H,28,30);7-12,15-16,22H,3-6,13-14,17H2,1-2H3,(H,28,29);2-11,14-15,23H,12-13H2,1H3,(H,27,30)(H,28,29);6-11,14-16,21H,2-5,12-13,17H2,1H3,(H,27,28)/t26-,38?;26-,37?;;24-,35?;;23-,34?;/m11.1.1./s1.
What are the key properties of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one?
3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one has a molecular weight of 3602.26 g/mol, XLogP of 27.98, 59 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N,N-dimethylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)-N-methylbenzamide;3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-N-methylbenzamide;5-[4-[[3-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;5-[4-[[3-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]cyclohexen-1-yl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[4-[[(1R)-4-[3-(pyrrolidine-1-carbonyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one is sourced from PubChem (CID 159972645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).