N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide

C59H68I6N2O6S2 — CID 155096485

IUPACN-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide
SMILESO=C(NS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCC(C2CCC(c3cc(C4CCCC4)cc(C4CCCC4)c3S(=O)(=O)NC(=O)c3cc(I)cc(I)c3I)C2)C1)c1cc(I)cc(I)c1I
InChIInChI=1S/C59H68I6N2O6S2/c60-44-30-50(54(64)52(62)32-44)58(68)66-74(70,71)56-46(36-16-5-2-6-17-36)26-42(34-12-3-1-4-13-34)28-48(56)40-21-11-20-38(24-40)39-22-23-41(25-39)49-29-43(35-14-7-8-15-35)27-47(37-18-9-10-19-37)57(49)75(72,73)67-59(69)51-31-45(61)33-53(63)55(51)65/h26-41H,1-25H2,(H,66,68)(H,67,69)
InChIKeySUBXYAMFRMPONT-UHFFFAOYSA-N
MW1726.76 g/mol
LogP17.82
Rot. Bonds13

About N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide

N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide (PubChem CID 155096485) has the molecular formula C59H68I6N2O6S2 and a molecular weight of 1726.76 g/mol. Its IUPAC name is N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide.

Molecular Properties

Compound NameN-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide
PubChem CID155096485
Molecular FormulaC59H68I6N2O6S2
Molecular Weight1726.76 g/mol
Exact Mass1725.88
IUPAC NameN-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide
SMILESO=C(NS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCC(C2CCC(c3cc(C4CCCC4)cc(C4CCCC4)c3S(=O)(=O)NC(=O)c3cc(I)cc(I)c3I)C2)C1)c1cc(I)cc(I)c1I
InChIInChI=1S/C59H68I6N2O6S2/c60-44-30-50(54(64)52(62)32-44)58(68)66-74(70,71)56-46(36-16-5-2-6-17-36)26-42(34-12-3-1-4-13-34)28-48(56)40-21-11-20-38(24-40)39-22-23-41(25-39)49-29-43(35-14-7-8-15-35)27-47(37-18-9-10-19-37)57(49)75(72,73)67-59(69)51-31-45(61)33-53(63)55(51)65/h26-41H,1-25H2,(H,66,68)(H,67,69)
InChIKeySUBXYAMFRMPONT-UHFFFAOYSA-N
XLogP17.82
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001726.76
LogP ≤ 517.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide?
The IUPAC name of N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide (CID 155096485) is N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide.
What is the SMILES notation for N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide?
The canonical SMILES for N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide is O=C(NS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCC(C2CCC(c3cc(C4CCCC4)cc(C4CCCC4)c3S(=O)(=O)NC(=O)c3cc(I)cc(I)c3I)C2)C1)c1cc(I)cc(I)c1I.
What is the InChIKey of N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide?
The InChIKey is SUBXYAMFRMPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H68I6N2O6S2/c60-44-30-50(54(64)52(62)32-44)58(68)66-74(70,71)56-46(36-16-5-2-6-17-36)26-42(34-12-3-1-4-13-34)28-48(56)40-21-11-20-38(24-40)39-22-23-41(25-39)49-29-43(35-14-7-8-15-35)27-47(37-18-9-10-19-37)57(49)75(72,73)67-59(69)51-31-45(61)33-53(63)55(51)65/h26-41H,1-25H2,(H,66,68)(H,67,69).
What are the key properties of N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide?
N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide has a molecular weight of 1726.76 g/mol, XLogP of 17.82, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dicyclohexyl-6-[3-[3-[3,5-dicyclopentyl-2-[(2,3,5-triiodobenzoyl)sulfamoyl]phenyl]cyclopentyl]cyclohexyl]phenyl]sulfonyl-2,3,5-triiodobenzamide is sourced from PubChem (CID 155096485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).