13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid

C32H39N3O6S — CID 71011867

About 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid

13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid (PubChem CID 71011867) has the molecular formula C32H39N3O6S and a molecular weight of 593.75 g/mol. Its IUPAC name is 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid.

Molecular Properties

• Compound Name: 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid
• PubChem CID: 71011867
• Molecular Formula: C32H39N3O6S
• Molecular Weight: 593.75 g/mol
• Exact Mass: 593.26
• IUPAC Name: 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid
• SMILES: COc1ccc2c(c1)C(C)C(C)(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C3CC3)cc21
• InChI: InChI=1S/C32H39N3O6S/c1-19-26-17-23(41-4)13-15-24(26)29-28(20-8-6-5-7-9-20)25-14-10-21(16-27(25)35(29)18-32(19,2)31(37)38)30(36)33-42(39,40)34(3)22-11-12-22/h10,13-17,19-20,22H,5-9,11-12,18H2,1-4H3,(H,33,36)(H,37,38)
• InChIKey: ZJOIJJUUHLYFQY-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 117.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.75
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid?

The IUPAC name of 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid (CID 71011867) is 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid.

What is the SMILES notation for 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid?

The canonical SMILES for 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid is COc1ccc2c(c1)C(C)C(C)(C(=O)O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C3CC3)cc21.

What is the InChIKey of 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid?

The InChIKey is ZJOIJJUUHLYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O6S/c1-19-26-17-23(41-4)13-15-24(26)29-28(20-8-6-5-7-9-20)25-14-10-21(16-27(25)35(29)18-32(19,2)31(37)38)30(36)33-42(39,40)34(3)22-11-12-22/h10,13-17,19-20,22H,5-9,11-12,18H2,1-4H3,(H,33,36)(H,37,38).

What are the key properties of 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid?

13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid has a molecular weight of 593.75 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclohexyl-10-[[cyclopropyl(methyl)sulfamoyl]carbamoyl]-3-methoxy-5,6-dimethyl-5,7-dihydroindolo[2,1-a][2]benzazepine-6-carboxylic acid is sourced from PubChem (CID 71011867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).