19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C39H55N5O5S — CID 71206547

IUPAC19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCCC(CC)N1CCN(C(=O)C2(C)CCc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n3C2)CC1
InChIInChI=1S/C39H55N5O5S/c1-7-30(8-2)42-20-22-43(23-21-42)38(46)39(3)19-18-28-24-31(49-6)15-17-32(28)36-35(27-12-10-9-11-13-27)33-16-14-29(25-34(33)44(36)26-39)37(45)40-50(47,48)41(4)5/h14-17,24-25,27,30H,7-13,18-23,26H2,1-6H3,(H,40,45)
InChIKeyGCGRFKMJRPYEQF-UHFFFAOYSA-N
MW705.97 g/mol
LogP6.19
Rot. Bonds9

About 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 71206547) has the molecular formula C39H55N5O5S and a molecular weight of 705.97 g/mol. Its IUPAC name is 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID71206547
Molecular FormulaC39H55N5O5S
Molecular Weight705.97 g/mol
Exact Mass705.39
IUPAC Name19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCCC(CC)N1CCN(C(=O)C2(C)CCc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n3C2)CC1
InChIInChI=1S/C39H55N5O5S/c1-7-30(8-2)42-20-22-43(23-21-42)38(46)39(3)19-18-28-24-31(49-6)15-17-32(28)36-35(27-12-10-9-11-13-27)33-16-14-29(25-34(33)44(36)26-39)37(45)40-50(47,48)41(4)5/h14-17,24-25,27,30H,7-13,18-23,26H2,1-6H3,(H,40,45)
InChIKeyGCGRFKMJRPYEQF-UHFFFAOYSA-N
XLogP6.19
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.97
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Related Compounds

(6S)-13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-methyl-6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
CID 69497244
10-(4-acetyl-1,4-diazepane-1-carbonyl)-19-cyclohexyl-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
CID 25015603
13-cyclohexyl-6-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-6-fluoro-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
CID 24769654
(8S,10R)-19-cyclohexyl-10-(2,5-diethylpyrrolidine-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
CID 126513472
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]-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
CID 25019679
19-cyclohexyl-10-[4-[2-(diethylamino)ethyl]-1,4-diazepane-1-carbonyl]-N-(dimethylsulfamoyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,8,13(18),14,16-octaene-15-carboxamide
CID 145475010
13-cyclohexyl-10-(dimethylsulfamoylcarbamoyl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-6-carboxylic acid
CID 59682115
19-cyclohexyl-10-(C,N-dimethylcarbonimidoyl)-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
CID 145476121
(9R,11R)-20-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-11-[(1R,5S)-7-(pyrrolidine-1-carbonyl)-3,7-diazabicyclo[3.3.2]decane-3-carbonyl]-13-azapentacyclo[11.7.0.02,7.09,11.014,19]icosa-1(20),2(7),3,5,14(19),15,17-heptaene-16-carboxamide
CID 86579106
[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]methyl morpholine-4-carboxylate
CID 25015171
(8S,10R)-10-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-19-cyclohexyl-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
CID 71065623
13-cyclohexyl-N-(dimethylsulfamoyl)-3-methoxy-6-(piperidine-1-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
CID 71170698

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 71206547) is 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is CCC(CC)N1CCN(C(=O)C2(C)CCc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n3C2)CC1.
What is the InChIKey of 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is GCGRFKMJRPYEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H55N5O5S/c1-7-30(8-2)42-20-22-43(23-21-42)38(46)39(3)19-18-28-24-31(49-6)15-17-32(28)36-35(27-12-10-9-11-13-27)33-16-14-29(25-34(33)44(36)26-39)37(45)40-50(47,48)41(4)5/h14-17,24-25,27,30H,7-13,18-23,26H2,1-6H3,(H,40,45).
What are the key properties of 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 705.97 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-N-(dimethylsulfamoyl)-5-methoxy-10-methyl-10-(4-pentan-3-ylpiperazine-1-carbonyl)-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 71206547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).