carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide

C32H35ClN2O3RuS — CID 134848475

IUPACcarbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide
SMILESCc1ccc(COCC[N-][C@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C31H32N2O3S.CH3.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;;/h3-20,30-31H,21-23H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1/t30-,31-;;;/m1.../s1
InChIKeyXSPCSWMZOHONMK-VSXGEILUSA-M
MW664.23 g/mol
LogP8.58
Rot. Bonds12

About carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide

carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide (PubChem CID 134848475) has the molecular formula C32H35ClN2O3RuS and a molecular weight of 664.23 g/mol. Its IUPAC name is carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide.

Molecular Properties

Compound Namecarbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide
PubChem CID134848475
Molecular FormulaC32H35ClN2O3RuS
Molecular Weight664.23 g/mol
Exact Mass664.11
IUPAC Namecarbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide
SMILESCc1ccc(COCC[N-][C@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.Cl[Ru+3].[CH3-]
InChIInChI=1S/C31H32N2O3S.CH3.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;;/h3-20,30-31H,21-23H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1/t30-,31-;;;/m1.../s1
InChIKeyXSPCSWMZOHONMK-VSXGEILUSA-M
XLogP8.58
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.23
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide 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 carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide?
The IUPAC name of carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide (CID 134848475) is carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide.
What is the SMILES notation for carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide?
The canonical SMILES for carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide is Cc1ccc(COCC[N-][C@H](c2ccccc2)[C@H]([N-]S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.Cl[Ru+3].[CH3-].
What is the InChIKey of carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide?
The InChIKey is XSPCSWMZOHONMK-VSXGEILUSA-M. The full InChI is InChI=1S/C31H32N2O3S.CH3.ClH.Ru/c1-24-13-17-26(18-14-24)23-36-22-21-32-30(27-9-5-3-6-10-27)31(28-11-7-4-8-12-28)33-37(34,35)29-19-15-25(2)16-20-29;;;/h3-20,30-31H,21-23H2,1-2H3;1H3;1H;/q-2;-1;;+4/p-1/t30-,31-;;;/m1.../s1.
What are the key properties of carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide?
carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide has a molecular weight of 664.23 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chlororuthenium(3+);2-[(4-methylphenyl)methoxy]ethyl-[(1R,2R)-2-(4-methylphenyl)sulfonylazanidyl-1,2-diphenylethyl]azanide is sourced from PubChem (CID 134848475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).