13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

C34H44N4O8S — CID 66782782

About 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 66782782) has the molecular formula C34H44N4O8S and a molecular weight of 668.81 g/mol. Its IUPAC name is 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 66782782
• Molecular Formula: C34H44N4O8S
• Molecular Weight: 668.81 g/mol
• Exact Mass: 668.29
• IUPAC Name: 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: COc1ccc2c(c1)C(O)C(O)(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C34H44N4O8S/c1-20-17-37(18-21(2)46-20)33(41)34(42)19-38-28-15-23(32(40)35-47(43,44)36(3)4)11-13-26(28)29(22-9-7-6-8-10-22)30(38)25-14-12-24(45-5)16-27(25)31(34)39/h11-16,20-22,31,39,42H,6-10,17-19H2,1-5H3,(H,35,40)/t20-,21+,31?,34?
• InChIKey: PJCISQWSNCHOOG-YCRSNGTLSA-N
• XLogP: 3.31
• TPSA: 150.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	668.81
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (CID 66782782) is 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is COc1ccc2c(c1)C(O)C(O)(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.

What is the InChIKey of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is PJCISQWSNCHOOG-YCRSNGTLSA-N. The full InChI is InChI=1S/C34H44N4O8S/c1-20-17-37(18-21(2)46-20)33(41)34(42)19-38-28-15-23(32(40)35-47(43,44)36(3)4)11-13-26(28)29(22-9-7-6-8-10-22)30(38)25-14-12-24(45-5)16-27(25)31(34)39/h11-16,20-22,31,39,42H,6-10,17-19H2,1-5H3,(H,35,40)/t20-,21+,31?,34?.

What are the key properties of 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 668.81 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-(dimethylsulfamoyl)-5,6-dihydroxy-3-methoxy-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 66782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).