10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide

C34H42N4O6S — CID 71037328

About 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide

10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide (PubChem CID 71037328) has the molecular formula C34H42N4O6S and a molecular weight of 634.80 g/mol. Its IUPAC name is 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide.

Molecular Properties

• Compound Name: 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
• PubChem CID: 71037328
• Molecular Formula: C34H42N4O6S
• Molecular Weight: 634.80 g/mol
• Exact Mass: 634.28
• IUPAC Name: 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide
• SMILES: CCN(CCOC)C(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCC4)cc3n2C1
• InChI: InChI=1S/C34H42N4O6S/c1-4-36(17-18-43-2)34(40)26-19-25-20-27(44-3)12-14-28(25)32-31(23-9-6-5-7-10-23)29-13-11-24(21-30(29)38(32)22-26)33(39)35-45(41,42)37-15-8-16-37/h11-14,19-21,23H,4-10,15-18,22H2,1-3H3,(H,35,39)
• InChIKey: ZBBBPILAPHQACA-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 110.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.80
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide?

The IUPAC name of 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide (CID 71037328) is 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide.

What is the SMILES notation for 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide?

The canonical SMILES for 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide is CCN(CCOC)C(=O)C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCC4)cc3n2C1.

What is the InChIKey of 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide?

The InChIKey is ZBBBPILAPHQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O6S/c1-4-36(17-18-43-2)34(40)26-19-25-20-27(44-3)12-14-28(25)32-31(23-9-6-5-7-10-23)29-13-11-24(21-30(29)38(32)22-26)33(39)35-45(41,42)37-15-8-16-37/h11-14,19-21,23H,4-10,15-18,22H2,1-3H3,(H,35,39).

What are the key properties of 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide?

10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide has a molecular weight of 634.80 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N-(azetidin-1-ylsulfonyl)-13-cyclohexyl-6-N-ethyl-3-methoxy-6-N-(2-methoxyethyl)-7H-indolo[2,1-a][2]benzazepine-6,10-dicarboxamide is sourced from PubChem (CID 71037328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).