2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide

C119H162N8O15S2 — CID 90954962

About 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide (PubChem CID 90954962) has the molecular formula C119H162N8O15S2 and a molecular weight of 2008.78 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide
• PubChem CID: 90954962
• Molecular Formula: C119H162N8O15S2
• Molecular Weight: 2008.78 g/mol
• Exact Mass: 2007.16
• IUPAC Name: 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide
• SMILES: CCCCCCCCCCCCCCCCCCN1C(C(C(=O)Nc2cc(C)ccc2Oc2ccccc2OCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)N2C(=O)OC(C)(C)C2=O)=Nc2ccccc2S1(=O)=O.CCCCCCCCCCCCCCCCCCN1C(C(C(=O)Nc2ccccc2Oc2c(-c3ccccc3)cccc2-c2ccccc2)N2C(=O)OC(C)(C)C2=O)=Nc2ccccc2S1(=O)=O
• InChI: InChI=1S/C63H96N4O8S.C56H66N4O7S/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-41-66-57(64-50-33-28-31-36-55(50)76(66,71)72)56(67-59(69)63(11,12)75-60(67)70)58(68)65-51-42-46(2)38-40-52(51)74-54-35-30-29-34-53(54)73-45-49(48(4)44-62(8,9)10)39-37-47(3)43-61(5,6)7;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-41-59-52(57-47-38-26-28-40-49(47)68(59,64)65)50(60-54(62)56(2,3)67-55(60)63)53(61)58-46-37-25-27-39-48(46)66-51-44(42-31-21-19-22-32-42)35-30-36-45(51)43-33-23-20-24-34-43/h28-31,33-36,38,40,42,47-49,56H,13-27,32,37,39,41,43-45H2,1-12H3,(H,65,68);19-28,30-40,50H,4-18,29,41H2,1-3H3,(H,58,61)
• InChIKey: RNMGDQUBFJNUDD-UHFFFAOYSA-N
• XLogP: 30.64
• TPSA: 278.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 57
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.78
LogP ≤ 5	30.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide?

The IUPAC name of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide (CID 90954962) is 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide.

What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide?

The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide is CCCCCCCCCCCCCCCCCCN1C(C(C(=O)Nc2cc(C)ccc2Oc2ccccc2OCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)N2C(=O)OC(C)(C)C2=O)=Nc2ccccc2S1(=O)=O.CCCCCCCCCCCCCCCCCCN1C(C(C(=O)Nc2ccccc2Oc2c(-c3ccccc3)cccc2-c2ccccc2)N2C(=O)OC(C)(C)C2=O)=Nc2ccccc2S1(=O)=O.

What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide?

The InChIKey is RNMGDQUBFJNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H96N4O8S.C56H66N4O7S/c1-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-41-66-57(64-50-33-28-31-36-55(50)76(66,71)72)56(67-59(69)63(11,12)75-60(67)70)58(68)65-51-42-46(2)38-40-52(51)74-54-35-30-29-34-53(54)73-45-49(48(4)44-62(8,9)10)39-37-47(3)43-61(5,6)7;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-41-59-52(57-47-38-26-28-40-49(47)68(59,64)65)50(60-54(62)56(2,3)67-55(60)63)53(61)58-46-37-25-27-39-48(46)66-51-44(42-31-21-19-22-32-42)35-30-36-45(51)43-33-23-20-24-34-43/h28-31,33-36,38,40,42,47-49,56H,13-27,32,37,39,41,43-45H2,1-12H3,(H,65,68);19-28,30-40,50H,4-18,29,41H2,1-3H3,(H,58,61).

What are the key properties of 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide?

2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide has a molecular weight of 2008.78 g/mol, XLogP of 30.64, 57 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-[2-[2-(4,4-dimethylpentan-2-yl)-5,7,7-trimethyloctoxy]phenoxy]-5-methylphenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide;2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[2-(2,6-diphenylphenoxy)phenyl]-2-(2-octadecyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)acetamide is sourced from PubChem (CID 90954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).