18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide

C34H44N6O5S — CID 71022215

IUPAC18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CC(C)N(C)C(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21
InChIInChI=1S/C34H44N6O5S/c1-21-18-39(19-22(2)38(21)5)34(42)25-16-24-17-26(45-6)12-13-27(24)31-30(23-10-8-7-9-11-23)28-14-15-29(35-32(28)40(31)20-25)33(41)36-46(43,44)37(3)4/h12-17,21-23H,7-11,18-20H2,1-6H3,(H,36,41)
InChIKeyXPVVHPRBDNRLGN-UHFFFAOYSA-N
MW648.83 g/mol
LogP4.24
Rot. Bonds6

About 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide

18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide (PubChem CID 71022215) has the molecular formula C34H44N6O5S and a molecular weight of 648.83 g/mol. Its IUPAC name is 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide.

Molecular Properties

Compound Name18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
PubChem CID71022215
Molecular FormulaC34H44N6O5S
Molecular Weight648.83 g/mol
Exact Mass648.31
IUPAC Name18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CC(C)N(C)C(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21
InChIInChI=1S/C34H44N6O5S/c1-21-18-39(19-22(2)38(21)5)34(42)25-16-24-17-26(45-6)12-13-27(24)31-30(23-10-8-7-9-11-23)28-14-15-29(35-32(28)40(31)20-25)33(41)36-46(43,44)37(3)4/h12-17,21-23H,7-11,18-20H2,1-6H3,(H,36,41)
InChIKeyXPVVHPRBDNRLGN-UHFFFAOYSA-N
XLogP4.24
TPSA117.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500648.83
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide with MolForge

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Related Compounds

18-cyclohexyl-9-(2,6-dimethylmorpholine-4-carbonyl)-N-(dimethylsulfamoyl)-5-methoxy-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
CID 71022274
18-cyclohexyl-9-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-N-(methylsulfamoyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide
CID 25007303
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
CID 59682115
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid;methyl 13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylate
CID 160646009
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-12,14-diazapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
CID 25006926
methyl 13-cyclohexyl-3-fluoro-6-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 16667262
13-cyclohexyl-10-N-(dimethylsulfamoyl)-6-N-(2-hydroxyethyl)-3-methoxy-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
CID 58677000
N-cyclobutylsulfonyl-13-cyclohexyl-3-methoxy-6-[1-methyl-4-[(3S,5R)-3,4,5-trimethylpiperazine-1-carbonyl]pyrazol-5-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 59133891
13-cyclohexyl-3-methoxy-N-propan-2-ylsulfonyl-6-[3-propan-2-yl-5-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]imidazol-4-yl]-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46893035
13-cyclohexyl-6-[1,3-dimethyl-4-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]pyrazol-5-yl]-3-methoxy-N-propan-2-ylsulfonyl-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 46892671
methyl 13-cyclohexyl-3-methoxy-6-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylate
CID 24988620

Frequently Asked Questions

What is the IUPAC name of 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The IUPAC name of 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide (CID 71022215) is 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide.
What is the SMILES notation for 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The canonical SMILES for 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide is COc1ccc2c(c1)C=C(C(=O)N1CC(C)N(C)C(C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)nc21.
What is the InChIKey of 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
The InChIKey is XPVVHPRBDNRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O5S/c1-21-18-39(19-22(2)38(21)5)34(42)25-16-24-17-26(45-6)12-13-27(24)31-30(23-10-8-7-9-11-23)28-14-15-29(35-32(28)40(31)20-25)33(41)36-46(43,44)37(3)4/h12-17,21-23H,7-11,18-20H2,1-6H3,(H,36,41).
What are the key properties of 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide?
18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide has a molecular weight of 648.83 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-9-(3,4,5-trimethylpiperazine-1-carbonyl)-11,13-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,12(17),13,15-octaene-14-carboxamide is sourced from PubChem (CID 71022215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).