26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide

C43H57N5O9S — CID 123643710

About 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide

26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide (PubChem CID 123643710) has the molecular formula C43H57N5O9S and a molecular weight of 820.02 g/mol. Its IUPAC name is 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide.

Molecular Properties

• Compound Name: 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide
• PubChem CID: 123643710
• Molecular Formula: C43H57N5O9S
• Molecular Weight: 820.02 g/mol
• Exact Mass: 819.39
• IUPAC Name: 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide
• SMILES: C=CC1CCC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1(C)CCCC1CCCCCc1c([nH]c3ccccc3c1=O)O2)C(=O)NS(=O)(=O)C1CC1
• InChI: InChI=1S/C43H57N5O9S/c1-3-27-21-23-43(27,40(52)47-58(54,55)30-19-20-30)46-37(50)34-24-29-25-48(34)39(51)35(26-12-7-8-13-26)45-41(53)57-42(2)22-11-15-28(42)14-5-4-6-17-32-36(49)31-16-9-10-18-33(31)44-38(32)56-29/h3,9-10,16,18,26-30,34-35H,1,4-8,11-15,17,19-25H2,2H3,(H,44,49)(H,45,53)(H,46,50)(H,47,52)
• InChIKey: HYLVZUGWGGQOHE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 193.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	820.02
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide?

The IUPAC name of 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide (CID 123643710) is 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide.

What is the SMILES notation for 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide?

The canonical SMILES for 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide is C=CC1CCC1(NC(=O)C1CC2CN1C(=O)C(C1CCCC1)NC(=O)OC1(C)CCCC1CCCCCc1c([nH]c3ccccc3c1=O)O2)C(=O)NS(=O)(=O)C1CC1.

What is the InChIKey of 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide?

The InChIKey is HYLVZUGWGGQOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H57N5O9S/c1-3-27-21-23-43(27,40(52)47-58(54,55)30-19-20-30)46-37(50)34-24-29-25-48(34)39(51)35(26-12-7-8-13-26)45-41(53)57-42(2)22-11-15-28(42)14-5-4-6-17-32-36(49)31-16-9-10-18-33(31)44-38(32)56-29/h3,9-10,16,18,26-30,34-35H,1,4-8,11-15,17,19-25H2,2H3,(H,44,49)(H,45,53)(H,46,50)(H,47,52).

What are the key properties of 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide?

26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide has a molecular weight of 820.02 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 26-cyclopentyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclobutyl]-22-methyl-11,24,27-trioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3(12),5,7,9-tetraene-29-carboxamide is sourced from PubChem (CID 123643710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).