19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate

C138H172N16O23S4 — CID 157316483

IUPAC19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate
SMILESCOC(=O)CC12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(CC(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C37H47N5O5S.C36H46N4O6S.C34H42N4O6S.C31H37N3O6S/c1-39(2)48(45,46)38-36(44)24-10-14-29-32(16-24)41-22-37(19-33(43)42-25-11-12-26(42)21-40(3)20-25)18-31(37)30-17-27(47-4)13-15-28(30)35(41)34(29)23-8-6-5-7-9-23;1-22-19-39(20-23(2)46-22)32(41)18-36-17-30(36)29-16-26(45-5)12-14-27(29)34-33(24-9-7-6-8-10-24)28-13-11-25(15-31(28)40(34)21-36)35(42)37-47(43,44)38(3)4;1-36(2)45(41,42)35-33(40)23-9-11-26-29(17-23)38-21-34(20-30(39)37-13-15-44-16-14-37)19-28(34)27-18-24(43-3)10-12-25(27)32(38)31(26)22-7-5-4-6-8-22;1-33(2)41(37,38)32-30(36)20-10-12-23-26(14-20)34-18-31(17-27(35)40-4)16-25(31)24-15-21(39-3)11-13-22(24)29(34)28(23)19-8-6-5-7-9-19/h10,13-17,23,25-26,31H,5-9,11-12,18-22H2,1-4H3,(H,38,44);11-16,22-24,30H,6-10,17-21H2,1-5H3,(H,37,42);9-12,17-18,22,28H,4-8,13-16,19-21H2,1-3H3,(H,35,40);10-15,19,25H,5-9,16-18H2,1-4H3,(H,32,36)/t;22-,23-,30?,36?;;/m.1../s1
InChIKeyBDQPZJNFXKRATM-NNLACEFVSA-N
MW2551.25 g/mol
LogP20.09
Rot. Bonds28

About 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate

19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate (PubChem CID 157316483) has the molecular formula C138H172N16O23S4 and a molecular weight of 2551.25 g/mol. Its IUPAC name is 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate.

Molecular Properties

Compound Name19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate
PubChem CID157316483
Molecular FormulaC138H172N16O23S4
Molecular Weight2551.25 g/mol
Exact Mass2549.17
IUPAC Name19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate
SMILESCOC(=O)CC12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(CC(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C37H47N5O5S.C36H46N4O6S.C34H42N4O6S.C31H37N3O6S/c1-39(2)48(45,46)38-36(44)24-10-14-29-32(16-24)41-22-37(19-33(43)42-25-11-12-26(42)21-40(3)20-25)18-31(37)30-17-27(47-4)13-15-28(30)35(41)34(29)23-8-6-5-7-9-23;1-22-19-39(20-23(2)46-22)32(41)18-36-17-30(36)29-16-26(45-5)12-14-27(29)34-33(24-9-7-6-8-10-24)28-13-11-25(15-31(28)40(34)21-36)35(42)37-47(43,44)38(3)4;1-36(2)45(41,42)35-33(40)23-9-11-26-29(17-23)38-21-34(20-30(39)37-13-15-44-16-14-37)19-28(34)27-18-24(43-3)10-12-25(27)32(38)31(26)22-7-5-4-6-8-22;1-33(2)41(37,38)32-30(36)20-10-12-23-26(14-20)34-18-31(17-27(35)40-4)16-25(31)24-15-21(39-3)11-13-22(24)29(34)28(23)19-8-6-5-7-9-19/h10,13-17,23,25-26,31H,5-9,11-12,18-22H2,1-4H3,(H,38,44);11-16,22-24,30H,6-10,17-21H2,1-5H3,(H,37,42);9-12,17-18,22,28H,4-8,13-16,19-21H2,1-3H3,(H,35,40);10-15,19,25H,5-9,16-18H2,1-4H3,(H,32,36)/t;22-,23-,30?,36?;;/m.1../s1
InChIKeyBDQPZJNFXKRATM-NNLACEFVSA-N
XLogP20.09
TPSA431.49 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.25
LogP ≤ 520.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate?
The IUPAC name of 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate (CID 157316483) is 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate.
What is the SMILES notation for 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate?
The canonical SMILES for 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate is COC(=O)CC12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(CC(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(CC(=O)N1C[C@@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate?
The InChIKey is BDQPZJNFXKRATM-NNLACEFVSA-N. The full InChI is InChI=1S/C37H47N5O5S.C36H46N4O6S.C34H42N4O6S.C31H37N3O6S/c1-39(2)48(45,46)38-36(44)24-10-14-29-32(16-24)41-22-37(19-33(43)42-25-11-12-26(42)21-40(3)20-25)18-31(37)30-17-27(47-4)13-15-28(30)35(41)34(29)23-8-6-5-7-9-23;1-22-19-39(20-23(2)46-22)32(41)18-36-17-30(36)29-16-26(45-5)12-14-27(29)34-33(24-9-7-6-8-10-24)28-13-11-25(15-31(28)40(34)21-36)35(42)37-47(43,44)38(3)4;1-36(2)45(41,42)35-33(40)23-9-11-26-29(17-23)38-21-34(20-30(39)37-13-15-44-16-14-37)19-28(34)27-18-24(43-3)10-12-25(27)32(38)31(26)22-7-5-4-6-8-22;1-33(2)41(37,38)32-30(36)20-10-12-23-26(14-20)34-18-31(17-27(35)40-4)16-25(31)24-15-21(39-3)11-13-22(24)29(34)28(23)19-8-6-5-7-9-19/h10,13-17,23,25-26,31H,5-9,11-12,18-22H2,1-4H3,(H,38,44);11-16,22-24,30H,6-10,17-21H2,1-5H3,(H,37,42);9-12,17-18,22,28H,4-8,13-16,19-21H2,1-3H3,(H,35,40);10-15,19,25H,5-9,16-18H2,1-4H3,(H,32,36)/t;22-,23-,30?,36?;;/m.1../s1.
What are the key properties of 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate?
19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate has a molecular weight of 2551.25 g/mol, XLogP of 20.09, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-10-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(2-morpholin-4-yl-2-oxoethyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;methyl 2-[19-cyclohexyl-15-(dimethylsulfamoylcarbamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaen-10-yl]acetate is sourced from PubChem (CID 157316483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).