N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide

C24H29IN6O5S — CID 175935811

IUPACN-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN(C)S(=O)(=O)c3ccc(I)cc3)nn2)cc1
InChIInChI=1S/C24H29IN6O5S/c1-16(2)12-22(24(33)28-34)23(32)26-19-8-4-17(5-9-19)13-31-15-20(27-29-31)14-30(3)37(35,36)21-10-6-18(25)7-11-21/h4-11,15-16,22,34H,12-14H2,1-3H3,(H,26,32)(H,28,33)
InChIKeyDUPITXULOWXGSN-UHFFFAOYSA-N
MW640.50 g/mol
LogP2.86
Rot. Bonds11

About N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide

N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide (PubChem CID 175935811) has the molecular formula C24H29IN6O5S and a molecular weight of 640.50 g/mol. Its IUPAC name is N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide
PubChem CID175935811
Molecular FormulaC24H29IN6O5S
Molecular Weight640.50 g/mol
Exact Mass640.10
IUPAC NameN-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN(C)S(=O)(=O)c3ccc(I)cc3)nn2)cc1
InChIInChI=1S/C24H29IN6O5S/c1-16(2)12-22(24(33)28-34)23(32)26-19-8-4-17(5-9-19)13-31-15-20(27-29-31)14-30(3)37(35,36)21-10-6-18(25)7-11-21/h4-11,15-16,22,34H,12-14H2,1-3H3,(H,26,32)(H,28,33)
InChIKeyDUPITXULOWXGSN-UHFFFAOYSA-N
XLogP2.86
TPSA146.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.50
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide with MolForge

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Related Compounds

methyl 4-[[1-[[4-[[2-(hydroxycarbamoyl)-4-methylpentanoyl]amino]phenyl]methyl]triazol-4-yl]methylsulfamoyl]benzoate
CID 169172121
tert-butyl N-[4-[[1-[[4-[[2-(hydroxycarbamoyl)-4-methylpentanoyl]amino]phenyl]methyl]triazol-4-yl]methylsulfamoyl]phenyl]carbamate
CID 169172113
ethyl 2-benzyl-3-[4-[[4-[[(4-iodophenyl)sulfonylamino]methyl]triazol-1-yl]methyl]anilino]-3-oxopropanoate
CID 169172065
ethyl 2-[[4-[[4-[(4-chlorophenoxy)methyl]triazol-1-yl]methyl]phenyl]carbamoyl]-4-methylpentanoate
CID 169172063
N-[4-[[amino-[(Z)-2,3-diaminoprop-1-enyl]amino]methyl]phenyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 169172039
N-[4-[(4-hydroxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 139950958
4-[[4-(ethoxymethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 167810001
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
CID 42905378
N-[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 6462480
2-(dimethylamino)-N-(4-iodophenyl)propanamide
CID 91154002
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[(2-methoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 30328422

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide?
The IUPAC name of N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide (CID 175935811) is N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide?
The canonical SMILES for N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide is CC(C)CC(C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN(C)S(=O)(=O)c3ccc(I)cc3)nn2)cc1.
What is the InChIKey of N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide?
The InChIKey is DUPITXULOWXGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29IN6O5S/c1-16(2)12-22(24(33)28-34)23(32)26-19-8-4-17(5-9-19)13-31-15-20(27-29-31)14-30(3)37(35,36)21-10-6-18(25)7-11-21/h4-11,15-16,22,34H,12-14H2,1-3H3,(H,26,32)(H,28,33).
What are the key properties of N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide?
N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide has a molecular weight of 640.50 g/mol, XLogP of 2.86, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-[[4-[[(4-iodophenyl)sulfonyl-methylamino]methyl]triazol-1-yl]methyl]phenyl]-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 175935811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).