19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate

C135H174N18O21S4 — CID 157216880

IUPAC19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate
SMILESCCN(CC)CCN(C)C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N(C)CCN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC[C@@H](N(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C36H49N5O5S.C35H45N5O5S.C34H45N5O5S.C30H35N3O6S/c1-7-40(8-2)19-18-39(5)35(43)36-22-30(36)29-21-26(46-6)15-17-27(29)33-32(24-12-10-9-11-13-24)28-16-14-25(20-31(28)41(33)23-36)34(42)37-47(44,45)38(3)4;1-37(2)24-15-16-39(20-24)34(42)35-19-29(35)28-18-25(45-5)12-14-26(28)32-31(22-9-7-6-8-10-22)27-13-11-23(17-30(27)40(32)21-35)33(41)36-46(43,44)38(3)4;1-36(2)16-17-38(5)33(41)34-20-28(34)27-19-24(44-6)13-15-25(27)31-30(22-10-8-7-9-11-22)26-14-12-23(18-29(26)39(31)21-34)32(40)35-45(42,43)37(3)4;1-32(2)40(36,37)31-28(34)19-10-12-22-25(14-19)33-17-30(29(35)39-4)16-24(30)23-15-20(38-3)11-13-21(23)27(33)26(22)18-8-6-5-7-9-18/h14-17,20-21,24,30H,7-13,18-19,22-23H2,1-6H3,(H,37,42);11-14,17-18,22,24,29H,6-10,15-16,19-21H2,1-5H3,(H,36,41);12-15,18-19,22,28H,7-11,16-17,20-21H2,1-6H3,(H,35,40);10-15,18,24H,5-9,16-17H2,1-4H3,(H,31,34)/t;24-,29?,35?;;/m.1../s1
InChIKeyASNHQIMPODUGLE-SONAVCTJSA-N
MW2513.25 g/mol
LogP18.71
Rot. Bonds33

About 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate

19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate (PubChem CID 157216880) has the molecular formula C135H174N18O21S4 and a molecular weight of 2513.25 g/mol. Its IUPAC name is 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate.

Molecular Properties

Compound Name19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate
PubChem CID157216880
Molecular FormulaC135H174N18O21S4
Molecular Weight2513.25 g/mol
Exact Mass2511.20
IUPAC Name19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate
SMILESCCN(CC)CCN(C)C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N(C)CCN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC[C@@H](N(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C36H49N5O5S.C35H45N5O5S.C34H45N5O5S.C30H35N3O6S/c1-7-40(8-2)19-18-39(5)35(43)36-22-30(36)29-21-26(46-6)15-17-27(29)33-32(24-12-10-9-11-13-24)28-16-14-25(20-31(28)41(33)23-36)34(42)37-47(44,45)38(3)4;1-37(2)24-15-16-39(20-24)34(42)35-19-29(35)28-18-25(45-5)12-14-26(28)32-31(22-9-7-6-8-10-22)27-13-11-23(17-30(27)40(32)21-35)33(41)36-46(43,44)38(3)4;1-36(2)16-17-38(5)33(41)34-20-28(34)27-19-24(44-6)13-15-25(27)31-30(22-10-8-7-9-11-22)26-14-12-23(18-29(26)39(31)21-34)32(40)35-45(42,43)37(3)4;1-32(2)40(36,37)31-28(34)19-10-12-22-25(14-19)33-17-30(29(35)39-4)16-24(30)23-15-20(38-3)11-13-21(23)27(33)26(22)18-8-6-5-7-9-18/h14-17,20-21,24,30H,7-13,18-19,22-23H2,1-6H3,(H,37,42);11-14,17-18,22,24,29H,6-10,15-16,19-21H2,1-5H3,(H,36,41);12-15,18-19,22,28H,7-11,16-17,20-21H2,1-6H3,(H,35,40);10-15,18,24H,5-9,16-17H2,1-4H3,(H,31,34)/t;24-,29?,35?;;/m.1../s1
InChIKeyASNHQIMPODUGLE-SONAVCTJSA-N
XLogP18.71
TPSA419.51 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002513.25
LogP ≤ 518.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate?
The IUPAC name of 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate (CID 157216880) is 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate.
What is the SMILES notation for 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate?
The canonical SMILES for 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate is CCN(CC)CCN(C)C(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2.COc1ccc2c(c1)C1CC1(C(=O)N(C)CCN(C)C)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.COc1ccc2c(c1)C1CC1(C(=O)N1CC[C@@H](N(C)C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate?
The InChIKey is ASNHQIMPODUGLE-SONAVCTJSA-N. The full InChI is InChI=1S/C36H49N5O5S.C35H45N5O5S.C34H45N5O5S.C30H35N3O6S/c1-7-40(8-2)19-18-39(5)35(43)36-22-30(36)29-21-26(46-6)15-17-27(29)33-32(24-12-10-9-11-13-24)28-16-14-25(20-31(28)41(33)23-36)34(42)37-47(44,45)38(3)4;1-37(2)24-15-16-39(20-24)34(42)35-19-29(35)28-18-25(45-5)12-14-26(28)32-31(22-9-7-6-8-10-22)27-13-11-23(17-30(27)40(32)21-35)33(41)36-46(43,44)38(3)4;1-36(2)16-17-38(5)33(41)34-20-28(34)27-19-24(44-6)13-15-25(27)31-30(22-10-8-7-9-11-22)26-14-12-23(18-29(26)39(31)21-34)32(40)35-45(42,43)37(3)4;1-32(2)40(36,37)31-28(34)19-10-12-22-25(14-19)33-17-30(29(35)39-4)16-24(30)23-15-20(38-3)11-13-21(23)27(33)26(22)18-8-6-5-7-9-18/h14-17,20-21,24,30H,7-13,18-19,22-23H2,1-6H3,(H,37,42);11-14,17-18,22,24,29H,6-10,15-16,19-21H2,1-5H3,(H,36,41);12-15,18-19,22,28H,7-11,16-17,20-21H2,1-6H3,(H,35,40);10-15,18,24H,5-9,16-17H2,1-4H3,(H,31,34)/t;24-,29?,35?;;/m.1../s1.
What are the key properties of 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate?
19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate has a molecular weight of 2513.25 g/mol, XLogP of 18.71, 33 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-10-N-[2-(diethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-N-[2-(dimethylamino)ethyl]-15-N-(dimethylsulfamoyl)-5-methoxy-10-N-methyl-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxamide;19-cyclohexyl-10-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-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;methyl 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-heptaene-10-carboxylate is sourced from PubChem (CID 157216880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).