13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

C62H72N8O9S — CID 157209275

IUPAC13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.CN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1
InChIInChI=1S/C32H39N5O5S.C30H33N3O4/c1-34(2)28(38)20-36(5)32(40)24-17-22-13-9-10-14-25(22)30-29(21-11-7-6-8-12-21)26-16-15-23(18-27(26)37(30)19-24)31(39)33-43(41,42)35(3)4;1-31(2)26(34)18-32(3)29(35)22-15-20-11-7-8-12-23(20)28-27(19-9-5-4-6-10-19)24-14-13-21(30(36)37)16-25(24)33(28)17-22/h9-10,13-18,21H,6-8,11-12,19-20H2,1-5H3,(H,33,39);7-8,11-16,19H,4-6,9-10,17-18H2,1-3H3,(H,36,37)
InChIKeyARRZVJKAWJAXGY-UHFFFAOYSA-N
MW1105.37 g/mol
LogP8.83
Rot. Bonds12

About 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (PubChem CID 157209275) has the molecular formula C62H72N8O9S and a molecular weight of 1105.37 g/mol. Its IUPAC name is 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.

Molecular Properties

Compound Name13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
PubChem CID157209275
Molecular FormulaC62H72N8O9S
Molecular Weight1105.37 g/mol
Exact Mass1104.51
IUPAC Name13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
SMILESCN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.CN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1
InChIInChI=1S/C32H39N5O5S.C30H33N3O4/c1-34(2)28(38)20-36(5)32(40)24-17-22-13-9-10-14-25(22)30-29(21-11-7-6-8-12-21)26-16-15-23(18-27(26)37(30)19-24)31(39)33-43(41,42)35(3)4;1-31(2)26(34)18-32(3)29(35)22-15-20-11-7-8-12-23(20)28-27(19-9-5-4-6-10-19)24-14-13-21(30(36)37)16-25(24)33(28)17-22/h9-10,13-18,21H,6-8,11-12,19-20H2,1-5H3,(H,33,39);7-8,11-16,19H,4-6,9-10,17-18H2,1-3H3,(H,36,37)
InChIKeyARRZVJKAWJAXGY-UHFFFAOYSA-N
XLogP8.83
TPSA194.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.37
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid with MolForge

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Related Compounds

3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-p-tolyl-1H-indole-6-carboxylic acid
CID 5275449
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-phenyl-1H-indole-6-carboxylic acid
CID 5275444
3-Cyclohexyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 6480891
3-Cyclohexyl-1-{[methyl-(1-methyl-piperidin-3-ylmethyl)-carbamoyl]-methyl}-2-phenyl-1H-indole-6-carboxylic acid
CID 6480892
3-Cyclohexyl-2-(3-dimethylaminomethyl-phenyl)-1-dimethylcarbamoylmethyl-1H-indole-6-carboxylic acid
CID 6480924
3-Cyclohexyl-1-[2-(methanesulfonamido)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 5275442
3-Cyclohexyl-1-[(isopropyl-methyl-carbamoyl)-methyl]-2-phenyl-1H-indole-6-carboxylic acid
CID 6480885
3-Cyclohexyl-1-[(dimethylcarbamoylmethyl-methyl-carbamoyl)-methyl]-2-phenyl-1H-indole-6-carboxylic acid
CID 6480887
3-Cyclohexyl-1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 6480889
3-Cyclopentyl-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 6480915
3-Cyclopentyl-1-[2-[methyl-[(1-methyl-3-piperidyl)methyl]amino]-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid
CID 6480916
3-Cyclohexyl-1-[2-[4-(dimethylamino)-1-piperidyl]-2-oxo-ethyl]-2-ethyl-indole-6-carboxylic acid
CID 6480918

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The IUPAC name of 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (CID 157209275) is 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.
What is the SMILES notation for 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The canonical SMILES for 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is CN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.CN(C)C(=O)CN(C)C(=O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1.
What is the InChIKey of 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The InChIKey is ARRZVJKAWJAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5S.C30H33N3O4/c1-34(2)28(38)20-36(5)32(40)24-17-22-13-9-10-14-25(22)30-29(21-11-7-6-8-12-21)26-16-15-23(18-27(26)37(30)19-24)31(39)33-43(41,42)35(3)4;1-31(2)26(34)18-32(3)29(35)22-15-20-11-7-8-12-23(20)28-27(19-9-5-4-6-10-19)24-14-13-21(30(36)37)16-25(24)33(28)17-22/h9-10,13-18,21H,6-8,11-12,19-20H2,1-5H3,(H,33,39);7-8,11-16,19H,4-6,9-10,17-18H2,1-3H3,(H,36,37).
What are the key properties of 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid has a molecular weight of 1105.37 g/mol, XLogP of 8.83, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-6-N-[2-(dimethylamino)-2-oxoethyl]-10-N-(dimethylsulfamoyl)-6-N-methyl-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is sourced from PubChem (CID 157209275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).