N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide

C58H77N5O10S4 — CID 11378261

IUPACN-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCN(CCCN(CCC(CN(CCCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)N1C(=O)c2ccccc2C1=O)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C58H77N5O10S4/c1-15-59(74(66,67)53-42(7)29-38(3)30-43(53)8)24-19-26-61(76(70,71)55-46(11)33-40(5)34-47(55)12)28-23-50(63-57(64)51-21-17-18-22-52(51)58(63)65)37-62(77(72,73)56-48(13)35-41(6)36-49(56)14)27-20-25-60(16-2)75(68,69)54-44(9)31-39(4)32-45(54)10/h17-18,21-22,29-36,50H,15-16,19-20,23-28,37H2,1-14H3
InChIKeyWZWLPCXDLLXRGG-UHFFFAOYSA-N
MW1132.55 g/mol
LogP9.33
Rot. Bonds24

About N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide

N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide (PubChem CID 11378261) has the molecular formula C58H77N5O10S4 and a molecular weight of 1132.55 g/mol. Its IUPAC name is N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
PubChem CID11378261
Molecular FormulaC58H77N5O10S4
Molecular Weight1132.55 g/mol
Exact Mass1131.46
IUPAC NameN-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SMILESCCN(CCCN(CCC(CN(CCCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)N1C(=O)c2ccccc2C1=O)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C58H77N5O10S4/c1-15-59(74(66,67)53-42(7)29-38(3)30-43(53)8)24-19-26-61(76(70,71)55-46(11)33-40(5)34-47(55)12)28-23-50(63-57(64)51-21-17-18-22-52(51)58(63)65)37-62(77(72,73)56-48(13)35-41(6)36-49(56)14)27-20-25-60(16-2)75(68,69)54-44(9)31-39(4)32-45(54)10/h17-18,21-22,29-36,50H,15-16,19-20,23-28,37H2,1-14H3
InChIKeyWZWLPCXDLLXRGG-UHFFFAOYSA-N
XLogP9.33
TPSA186.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.55
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
N-ethyl-2,4,6-trimethyl-N-[3-[2-(oxiran-2-yl)ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 11341646
4-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]butanamide
CID 69170687
N-butyl-N-(2-hydroxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 61448329
N,N-dihexyl-2,4,6-trimethylbenzenesulfonamide
CID 19682365
N-(2-hydroxyethyl)-2,4,6-trimethyl-N-propylbenzenesulfonamide
CID 61425521
2,4,6-trimethyl-N-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]amino]propyl]amino]propyl]benzenesulfonamide
CID 10056638
3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62826868
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-[2-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 11813935
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide (CID 11378261) is N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide is CCN(CCCN(CCC(CN(CCCN(CC)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)N1C(=O)c2ccccc2C1=O)S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is WZWLPCXDLLXRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H77N5O10S4/c1-15-59(74(66,67)53-42(7)29-38(3)30-43(53)8)24-19-26-61(76(70,71)55-46(11)33-40(5)34-47(55)12)28-23-50(63-57(64)51-21-17-18-22-52(51)58(63)65)37-62(77(72,73)56-48(13)35-41(6)36-49(56)14)27-20-25-60(16-2)75(68,69)54-44(9)31-39(4)32-45(54)10/h17-18,21-22,29-36,50H,15-16,19-20,23-28,37H2,1-14H3.
What are the key properties of N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide?
N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 1132.55 g/mol, XLogP of 9.33, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(1,3-dioxoisoindol-2-yl)-4-[3-[ethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 11378261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).