N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

C41H61N7O8S — CID 91001033

About N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide

N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91001033) has the molecular formula C41H61N7O8S and a molecular weight of 812.05 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 91001033
• Molecular Formula: C41H61N7O8S
• Molecular Weight: 812.05 g/mol
• Exact Mass: 811.43
• IUPAC Name: N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
• SMILES: C=CC1CC1(C(=O)NS(=O)(=O)N1CCCC1)C(C)C(=O)C1CC2(CN1C(=O)C(NC(=O)C(NC(=O)c1cnon1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1
• InChI: InChI=1S/C41H61N7O8S/c1-8-27-21-41(27,36(53)46-57(54,55)47-19-12-13-20-47)25(2)31(49)29-22-40(38(6,7)39(40)17-14-18-39)24-48(29)35(52)32(37(3,4)5)44-34(51)30(26-15-10-9-11-16-26)43-33(50)28-23-42-56-45-28/h8,23,25-27,29-30,32H,1,9-22,24H2,2-7H3,(H,43,50)(H,44,51)(H,46,53)
• InChIKey: GDTFZEZLWGBSDL-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 200.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	812.05
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide (CID 91001033) is N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is C=CC1CC1(C(=O)NS(=O)(=O)N1CCCC1)C(C)C(=O)C1CC2(CN1C(=O)C(NC(=O)C(NC(=O)c1cnon1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1.

What is the InChIKey of N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is GDTFZEZLWGBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H61N7O8S/c1-8-27-21-41(27,36(53)46-57(54,55)47-19-12-13-20-47)25(2)31(49)29-22-40(38(6,7)39(40)17-14-18-39)24-48(29)35(52)32(37(3,4)5)44-34(51)30(26-15-10-9-11-16-26)43-33(50)28-23-42-56-45-28/h8,23,25-27,29-30,32H,1,9-22,24H2,2-7H3,(H,43,50)(H,44,51)(H,46,53).

What are the key properties of N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide?

N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 812.05 g/mol, XLogP of 3.93, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclohexyl-2-[[1-[8-[2-[2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]propanoyl]-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).