(5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one

C125H226N20O20S2 — CID 160521661

About (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one

(5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one (PubChem CID 160521661) has the molecular formula C125H226N20O20S2 and a molecular weight of 2393.44 g/mol. Its IUPAC name is (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one.

Molecular Properties

• Compound Name: (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one
• PubChem CID: 160521661
• Molecular Formula: C125H226N20O20S2
• Molecular Weight: 2393.44 g/mol
• Exact Mass: 2391.67
• IUPAC Name: (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one
• SMILES: C=C(C)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCC1=NN=NC1.C=C(CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCC1=NN=NC1)NCCOCCOCC(=O)CCCOCCOCC(C)=O.CC(=O)CCCCCCCCCCCCCCC1=NN=NC1.CC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCc1nn[nH]n1)C(C)=O.CC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCC1=NN=NC1
• InChI: InChI=1S/C36H65N5O9S.C24H44N4O4.C24H42N4O3.C23H42N4O3S.C18H33N3O/c1-32(37-21-23-48-25-27-50-31-35(43)19-15-22-47-24-26-49-30-33(2)42)17-16-28-51(45,46)40-36(44)20-14-12-10-8-6-4-3-5-7-9-11-13-18-34-29-38-41-39-34;1-22(29)21-32-19-18-31-17-16-25-24(30)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-20-26-28-27-23;1-20(29)17-18-22(21(2)30)19-23(31)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-25-27-28-26-24;1-21(2)16-15-19-31(29,30)26-23(28)18-14-12-10-8-6-4-3-5-7-9-11-13-17-22-20-24-27-25-22;1-17(22)14-12-10-8-6-4-2-3-5-7-9-11-13-15-18-16-19-21-20-18/h37H,1,3-31H2,2H3,(H,40,44);2-21H2,1H3,(H,25,30);22H,3-19H2,1-2H3,(H,25,26,27,28);1,3-20H2,2H3,(H,26,28);2-16H2,1H3/t;;22-;;/m..1../s1
• InChIKey: QUIWWOAOENMTFX-VSNDMWHNSA-N
• XLogP: 27.89
• TPSA: 545.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 117
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2393.44
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one?

The IUPAC name of (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one (CID 160521661) is (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one.

What is the SMILES notation for (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one?

The canonical SMILES for (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one is C=C(C)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCC1=NN=NC1.C=C(CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCC1=NN=NC1)NCCOCCOCC(=O)CCCOCCOCC(C)=O.CC(=O)CCCCCCCCCCCCCCC1=NN=NC1.CC(=O)CC[C@H](CC(=O)CCCCCCCCCCCCCCc1nn[nH]n1)C(C)=O.CC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCC1=NN=NC1.

What is the InChIKey of (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one?

The InChIKey is QUIWWOAOENMTFX-VSNDMWHNSA-N. The full InChI is InChI=1S/C36H65N5O9S.C24H44N4O4.C24H42N4O3.C23H42N4O3S.C18H33N3O/c1-32(37-21-23-48-25-27-50-31-35(43)19-15-22-47-24-26-49-30-33(2)42)17-16-28-51(45,46)40-36(44)20-14-12-10-8-6-4-3-5-7-9-11-13-18-34-29-38-41-39-34;1-22(29)21-32-19-18-31-17-16-25-24(30)15-13-11-9-7-5-3-2-4-6-8-10-12-14-23-20-26-28-27-23;1-20(29)17-18-22(21(2)30)19-23(31)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-25-27-28-26-24;1-21(2)16-15-19-31(29,30)26-23(28)18-14-12-10-8-6-4-3-5-7-9-11-13-17-22-20-24-27-25-22;1-17(22)14-12-10-8-6-4-2-3-5-7-9-11-13-15-18-16-19-21-20-18/h37H,1,3-31H2,2H3,(H,40,44);2-21H2,1H3,(H,25,30);22H,3-19H2,1-2H3,(H,25,26,27,28);1,3-20H2,2H3,(H,26,28);2-16H2,1H3/t;;22-;;/m..1../s1.

What are the key properties of (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one?

(5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one has a molecular weight of 2393.44 g/mol, XLogP of 27.89, 117 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-acetyl-21-(2H-tetrazol-5-yl)henicosane-2,7-dione;N-(4-methylpent-4-enylsulfonyl)-15-(4H-triazol-5-yl)pentadecanamide;N-[4-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]pent-4-enylsulfonyl]-15-(4H-triazol-5-yl)pentadecanamide;N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]-15-(4H-triazol-5-yl)pentadecanamide;16-(4H-triazol-5-yl)hexadecan-2-one is sourced from PubChem (CID 160521661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).