1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide

C41H56N4O6S — CID 71011804

About 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide

1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide (PubChem CID 71011804) has the molecular formula C41H56N4O6S and a molecular weight of 732.99 g/mol. Its IUPAC name is 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide
• PubChem CID: 71011804
• Molecular Formula: C41H56N4O6S
• Molecular Weight: 732.99 g/mol
• Exact Mass: 732.39
• IUPAC Name: 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide
• SMILES: COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2CC(C)(C)C(=O)N2CCC3(CCCN3C(C)=O)CC2)c(C)c1
• InChI: InChI=1S/C41H56N4O6S/c1-27(2)52(49,50)42-38(47)31-14-16-34-35(25-31)44(37(36(34)30-12-9-8-10-13-30)33-17-15-32(51-7)24-28(33)3)26-40(5,6)39(48)43-22-19-41(20-23-43)18-11-21-45(41)29(4)46/h14-17,24-25,27,30H,8-13,18-23,26H2,1-7H3,(H,42,47)
• InChIKey: WXSKWBKAUBZGEX-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 118.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.99
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide?

The IUPAC name of 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide (CID 71011804) is 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide.

What is the SMILES notation for 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide?

The canonical SMILES for 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide is COc1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2CC(C)(C)C(=O)N2CCC3(CCCN3C(C)=O)CC2)c(C)c1.

What is the InChIKey of 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide?

The InChIKey is WXSKWBKAUBZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H56N4O6S/c1-27(2)52(49,50)42-38(47)31-14-16-34-35(25-31)44(37(36(34)30-12-9-8-10-13-30)33-17-15-32(51-7)24-28(33)3)26-40(5,6)39(48)43-22-19-41(20-23-43)18-11-21-45(41)29(4)46/h14-17,24-25,27,30H,8-13,18-23,26H2,1-7H3,(H,42,47).

What are the key properties of 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide?

1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide has a molecular weight of 732.99 g/mol, XLogP of 7.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-oxopropyl]-3-cyclohexyl-2-(4-methoxy-2-methylphenyl)-N-propan-2-ylsulfonylindole-6-carboxamide is sourced from PubChem (CID 71011804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).