2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid

C143H204N14O49S4 — CID 163461840

About 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid

2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid (PubChem CID 163461840) has the molecular formula C143H204N14O49S4 and a molecular weight of 3031.52 g/mol. Its IUPAC name is 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
• PubChem CID: 163461840
• Molecular Formula: C143H204N14O49S4
• Molecular Weight: 3031.52 g/mol
• Exact Mass: 3029.28
• IUPAC Name: 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)CCCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)cc1.CC(C)(C)OC(=O)CCCCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)cc1.CC(C)(C)OC(=O)CCCCCc1cccc(S(=O)(=O)Nc2ncc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)c1.CC(C)(C)OC(=O)CCc1ccc(CCOc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn3)cc2)cc1
• InChI: InChI=1S/C40H53N3O13S.C35H51N3O12S.2C34H50N4O12S/c1-40(2,3)56-38(47)17-10-30-6-8-31(9-7-30)18-21-55-34-12-14-35(15-13-34)57(49,50)43-36-16-11-32(27-42-36)39(48)41-19-22-52-24-25-53-28-33(44)5-4-20-51-23-26-54-29-37(45)46;1-35(2,3)50-33(42)10-6-4-5-8-27-11-14-30(15-12-27)51(44,45)38-31-16-13-28(24-37-31)34(43)36-17-19-47-21-22-48-25-29(39)9-7-18-46-20-23-49-26-32(40)41;1-34(2,3)50-31(42)13-6-4-5-9-26-10-7-12-29(21-26)51(44,45)38-33-36-22-27(23-37-33)32(43)35-14-16-47-18-19-48-24-28(39)11-8-15-46-17-20-49-25-30(40)41;1-34(2,3)50-31(42)10-6-4-5-8-26-11-13-29(14-12-26)51(44,45)38-33-36-22-27(23-37-33)32(43)35-15-17-47-19-20-48-24-28(39)9-7-16-46-18-21-49-25-30(40)41/h6-9,11-16,27H,4-5,10,17-26,28-29H2,1-3H3,(H,41,48)(H,42,43)(H,45,46);11-16,24H,4-10,17-23,25-26H2,1-3H3,(H,36,43)(H,37,38)(H,40,41);7,10,12,21-23H,4-6,8-9,11,13-20,24-25H2,1-3H3,(H,35,43)(H,40,41)(H,36,37,38);11-14,22-23H,4-10,15-21,24-25H2,1-3H3,(H,35,43)(H,40,41)(H,36,37,38)
• InChIKey: BPGBHGTUQSKMQI-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 858.01 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 51
• Rotatable Bonds: 109
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.52
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid (CID 163461840) is 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)CCCCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)cc1.CC(C)(C)OC(=O)CCCCCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)cc1.CC(C)(C)OC(=O)CCCCCc1cccc(S(=O)(=O)Nc2ncc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn2)c1.CC(C)(C)OC(=O)CCc1ccc(CCOc2ccc(S(=O)(=O)Nc3ccc(C(=O)NCCOCCOCC(=O)CCCOCCOCC(=O)O)cn3)cc2)cc1.

What is the InChIKey of 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid?

The InChIKey is BPGBHGTUQSKMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H53N3O13S.C35H51N3O12S.2C34H50N4O12S/c1-40(2,3)56-38(47)17-10-30-6-8-31(9-7-30)18-21-55-34-12-14-35(15-13-34)57(49,50)43-36-16-11-32(27-42-36)39(48)41-19-22-52-24-25-53-28-33(44)5-4-20-51-23-26-54-29-37(45)46;1-35(2,3)50-33(42)10-6-4-5-8-27-11-14-30(15-12-27)51(44,45)38-31-16-13-28(24-37-31)34(43)36-17-19-47-21-22-48-25-29(39)9-7-18-46-20-23-49-26-32(40)41;1-34(2,3)50-31(42)13-6-4-5-9-26-10-7-12-29(21-26)51(44,45)38-33-36-22-27(23-37-33)32(43)35-14-16-47-18-19-48-24-28(39)11-8-15-46-17-20-49-25-30(40)41;1-34(2,3)50-31(42)10-6-4-5-8-26-11-13-29(14-12-26)51(44,45)38-33-36-22-27(23-37-33)32(43)35-15-17-47-19-20-48-24-28(39)9-7-16-46-18-21-49-25-30(40)41/h6-9,11-16,27H,4-5,10,17-26,28-29H2,1-3H3,(H,41,48)(H,42,43)(H,45,46);11-16,24H,4-10,17-23,25-26H2,1-3H3,(H,36,43)(H,37,38)(H,40,41);7,10,12,21-23H,4-6,8-9,11,13-20,24-25H2,1-3H3,(H,35,43)(H,40,41)(H,36,37,38);11-14,22-23H,4-10,15-21,24-25H2,1-3H3,(H,35,43)(H,40,41)(H,36,37,38).

What are the key properties of 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid?

2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid has a molecular weight of 3031.52 g/mol, XLogP of 13.47, 109 rotatable bonds, 12 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-[2-[2-[[6-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[3-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[2-[[4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]phenyl]sulfonylamino]pyrimidine-5-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid;2-[2-[5-[2-[2-[[6-[[4-[2-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]ethoxy]phenyl]sulfonylamino]pyridine-3-carbonyl]amino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid is sourced from PubChem (CID 163461840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).