N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide

C66H66N6O12S3 — CID 10510561

About N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide

N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 10510561) has the molecular formula C66H66N6O12S3 and a molecular weight of 1231.48 g/mol. Its IUPAC name is N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide
• PubChem CID: 10510561
• Molecular Formula: C66H66N6O12S3
• Molecular Weight: 1231.48 g/mol
• Exact Mass: 1230.39
• IUPAC Name: N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N(CCCN2C(=O)c3ccccc3C2=O)Cc2c(C)c(CN(CCCN3C(=O)c4ccccc4C3=O)S(=O)(=O)c3ccc(C)cc3)c(C)c(CN(CCCN3C(=O)c4ccccc4C3=O)S(=O)(=O)c3ccc(C)cc3)c2C)cc1
• InChI: InChI=1S/C66H66N6O12S3/c1-43-22-28-49(29-23-43)85(79,80)67(34-13-37-70-61(73)52-16-7-8-17-53(52)62(70)74)40-58-46(4)59(41-68(86(81,82)50-30-24-44(2)25-31-50)35-14-38-71-63(75)54-18-9-10-19-55(54)64(71)76)48(6)60(47(58)5)42-69(87(83,84)51-32-26-45(3)27-33-51)36-15-39-72-65(77)56-20-11-12-21-57(56)66(72)78/h7-12,16-33H,13-15,34-42H2,1-6H3
• InChIKey: YESLFVKNHPTTOS-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 224.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.48
LogP ≤ 5	9.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide?

The IUPAC name of N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide (CID 10510561) is N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide.

What is the SMILES notation for N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide?

The canonical SMILES for N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCN2C(=O)c3ccccc3C2=O)Cc2c(C)c(CN(CCCN3C(=O)c4ccccc4C3=O)S(=O)(=O)c3ccc(C)cc3)c(C)c(CN(CCCN3C(=O)c4ccccc4C3=O)S(=O)(=O)c3ccc(C)cc3)c2C)cc1.

What is the InChIKey of N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide?

The InChIKey is YESLFVKNHPTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66N6O12S3/c1-43-22-28-49(29-23-43)85(79,80)67(34-13-37-70-61(73)52-16-7-8-17-53(52)62(70)74)40-58-46(4)59(41-68(86(81,82)50-30-24-44(2)25-31-50)35-14-38-71-63(75)54-18-9-10-19-55(54)64(71)76)48(6)60(47(58)5)42-69(87(83,84)51-32-26-45(3)27-33-51)36-15-39-72-65(77)56-20-11-12-21-57(56)66(72)78/h7-12,16-33H,13-15,34-42H2,1-6H3.

What are the key properties of N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide?

N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 1231.48 g/mol, XLogP of 9.17, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis[[3-(1,3-dioxoisoindol-2-yl)propyl-(4-methylphenyl)sulfonylamino]methyl]-2,4,6-trimethylphenyl]methyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10510561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).