13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)

C121H143N11O14S — CID 90794168

About 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)

13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid) (PubChem CID 90794168) has the molecular formula C121H143N11O14S and a molecular weight of 2007.60 g/mol. Its IUPAC name is 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid).

Molecular Properties

• Compound Name: 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)
• PubChem CID: 90794168
• Molecular Formula: C121H143N11O14S
• Molecular Weight: 2007.60 g/mol
• Exact Mass: 2006.05
• IUPAC Name: 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)
• SMILES: CN(C)CCNC(=O)C1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCC(O)C1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)Cc1ccccc1-3
• InChI: InChI=1S/C31H41N5O4S.C30H34N2O4.2C30H34N2O3/c1-34(2)17-16-32-30(37)24-18-22-12-8-9-13-25(22)29-28(21-10-6-5-7-11-21)26-15-14-23(19-27(26)36(29)20-24)31(38)33-41(39,40)35(3)4;33-23-10-6-14-31(18-23)29(34)22-15-20-9-4-5-11-24(20)28-27(19-7-2-1-3-8-19)25-13-12-21(30(35)36)16-26(25)32(28)17-22;2*33-29(31-15-7-2-8-16-31)23-17-21-11-5-6-12-24(21)28-27(20-9-3-1-4-10-20)25-14-13-22(30(34)35)18-26(25)32(28)19-23/h8-9,12-15,19,21,24H,5-7,10-11,16-18,20H2,1-4H3,(H,32,37)(H,33,38);4-5,9,11-13,16,19,22-23,33H,1-3,6-8,10,14-15,17-18H2,(H,35,36);2*5-6,11-14,18,20,23H,1-4,7-10,15-17,19H2,(H,34,35)
• InChIKey: XQGLFVVNSLTXGX-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 311.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.60
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)?

The IUPAC name of 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid) (CID 90794168) is 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid).

What is the SMILES notation for 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)?

The canonical SMILES for 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid) is CN(C)CCNC(=O)C1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n2C1.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCC(O)C1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCCCC1)Cc1ccccc1-3.

What is the InChIKey of 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)?

The InChIKey is XQGLFVVNSLTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O4S.C30H34N2O4.2C30H34N2O3/c1-34(2)17-16-32-30(37)24-18-22-12-8-9-13-25(22)29-28(21-10-6-5-7-11-21)26-15-14-23(19-27(26)36(29)20-24)31(38)33-41(39,40)35(3)4;33-23-10-6-14-31(18-23)29(34)22-15-20-9-4-5-11-24(20)28-27(19-7-2-1-3-8-19)25-13-12-21(30(35)36)16-26(25)32(28)17-22;2*33-29(31-15-7-2-8-16-31)23-17-21-11-5-6-12-24(21)28-27(20-9-3-1-4-10-20)25-14-13-22(30(34)35)18-26(25)32(28)19-23/h8-9,12-15,19,21,24H,5-7,10-11,16-18,20H2,1-4H3,(H,32,37)(H,33,38);4-5,9,11-13,16,19,22-23,33H,1-3,6-8,10,14-15,17-18H2,(H,35,36);2*5-6,11-14,18,20,23H,1-4,7-10,15-17,19H2,(H,34,35).

What are the key properties of 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid)?

13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid) has a molecular weight of 2007.60 g/mol, XLogP of 21.43, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-6-N-[2-(dimethylamino)ethyl]-10-N-(dimethylsulfamoyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide;13-cyclohexyl-6-(3-hydroxypiperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid;bis(13-cyclohexyl-6-(piperidine-1-carbonyl)-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid) is sourced from PubChem (CID 90794168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).