13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

C34H45N3O6S2 — CID 143590593

About 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (PubChem CID 143590593) has the molecular formula C34H45N3O6S2 and a molecular weight of 655.88 g/mol. Its IUPAC name is 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

Molecular Properties

• Compound Name: 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• PubChem CID: 143590593
• Molecular Formula: C34H45N3O6S2
• Molecular Weight: 655.88 g/mol
• Exact Mass: 655.27
• IUPAC Name: 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide
• SMILES: C=C(C)CN(C)S(=O)(=O)C1(C)Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2C1
• InChI: InChI=1S/C34H45N3O6S2/c1-22(2)20-36(6)45(41,42)34(5)19-26-17-27(43-7)14-16-28(26)32-31(24-11-9-8-10-12-24)29-15-13-25(18-30(29)37(32)21-34)33(38)35-44(39,40)23(3)4/h13-18,23-24H,1,8-12,19-21H2,2-7H3,(H,35,38)
• InChIKey: HVPAQKUHZSMDIJ-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 114.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.88
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The IUPAC name of 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide (CID 143590593) is 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide.

What is the SMILES notation for 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The canonical SMILES for 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is C=C(C)CN(C)S(=O)(=O)C1(C)Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2C1.

What is the InChIKey of 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

The InChIKey is HVPAQKUHZSMDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3O6S2/c1-22(2)20-36(6)45(41,42)34(5)19-26-17-27(43-7)14-16-28(26)32-31(24-11-9-8-10-12-24)29-15-13-25(18-30(29)37(32)21-34)33(38)35-44(39,40)23(3)4/h13-18,23-24H,1,8-12,19-21H2,2-7H3,(H,35,38).

What are the key properties of 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide?

13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide has a molecular weight of 655.88 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-3-methoxy-6-methyl-6-[methyl(2-methylprop-2-enyl)sulfamoyl]-N-propan-2-ylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide is sourced from PubChem (CID 143590593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).