5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide

C18H25F3N2O4S — CID 36821044

IUPAC5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H25F3N2O4S/c1-12-3-8-15(28(25,26)22-9-10-27-2)11-16(12)17(24)23-14-6-4-13(5-7-14)18(19,20)21/h3,8,11,13-14,22H,4-7,9-10H2,1-2H3,(H,23,24)
InChIKeyAXICEWCBIQWHKG-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.77
Rot. Bonds7

About 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 36821044) has the molecular formula C18H25F3N2O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID36821044
Molecular FormulaC18H25F3N2O4S
Molecular Weight422.47 g/mol
Exact Mass422.15
IUPAC Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H25F3N2O4S/c1-12-3-8-15(28(25,26)22-9-10-27-2)11-16(12)17(24)23-14-6-4-13(5-7-14)18(19,20)21/h3,8,11,13-14,22H,4-7,9-10H2,1-2H3,(H,23,24)
InChIKeyAXICEWCBIQWHKG-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide 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

cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
CID 33295438
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 30768460
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
N-(2-hydroxy-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46652713
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-(2-methoxyethyl)-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119542809

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide (CID 36821044) is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is AXICEWCBIQWHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O4S/c1-12-3-8-15(28(25,26)22-9-10-27-2)11-16(12)17(24)23-14-6-4-13(5-7-14)18(19,20)21/h3,8,11,13-14,22H,4-7,9-10H2,1-2H3,(H,23,24).
What are the key properties of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide?
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 422.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 36821044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).