1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide

C30H35N3O7S2 — CID 166950195

About 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide

1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide (PubChem CID 166950195) has the molecular formula C30H35N3O7S2 and a molecular weight of 613.76 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
• PubChem CID: 166950195
• Molecular Formula: C30H35N3O7S2
• Molecular Weight: 613.76 g/mol
• Exact Mass: 613.19
• IUPAC Name: 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide
• SMILES: CS(=O)(=O)C1CCC(CCN2C(=O)c3cccc4c(NC(=O)C5CCCN(S(=O)(=O)c6ccco6)C5)ccc2c34)CC1
• InChI: InChI=1S/C30H35N3O7S2/c1-41(36,37)22-11-9-20(10-12-22)15-17-33-26-14-13-25(23-6-2-7-24(28(23)26)30(33)35)31-29(34)21-5-3-16-32(19-21)42(38,39)27-8-4-18-40-27/h2,4,6-8,13-14,18,20-22H,3,5,9-12,15-17,19H2,1H3,(H,31,34)
• InChIKey: ZRIAZXHTQPDZNV-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 134.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.76
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide (CID 166950195) is 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide is CS(=O)(=O)C1CCC(CCN2C(=O)c3cccc4c(NC(=O)C5CCCN(S(=O)(=O)c6ccco6)C5)ccc2c34)CC1.

What is the InChIKey of 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide?

The InChIKey is ZRIAZXHTQPDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O7S2/c1-41(36,37)22-11-9-20(10-12-22)15-17-33-26-14-13-25(23-6-2-7-24(28(23)26)30(33)35)31-29(34)21-5-3-16-32(19-21)42(38,39)27-8-4-18-40-27/h2,4,6-8,13-14,18,20-22H,3,5,9-12,15-17,19H2,1H3,(H,31,34).

What are the key properties of 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide?

1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide has a molecular weight of 613.76 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylsulfonyl)-N-[1-[2-(4-methylsulfonylcyclohexyl)ethyl]-2-oxobenzo[cd]indol-6-yl]piperidine-3-carboxamide is sourced from PubChem (CID 166950195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).