N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

C22H27FN2O4S — CID 60615489

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-16-4-9-19(30(27,28)25-12-13-29-2)14-20(16)21(26)24-15-22(10-3-11-22)17-5-7-18(23)8-6-17/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyRXNMCVOCAMECBJ-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.91
Rot. Bonds9

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (PubChem CID 60615489) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
PubChem CID60615489
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-16-4-9-19(30(27,28)25-12-13-29-2)14-20(16)21(26)24-15-22(10-3-11-22)17-5-7-18(23)8-6-17/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyRXNMCVOCAMECBJ-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55506799
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 46512676
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 36821044
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
2-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-sulfamoylbenzamide
CID 60555860
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55652582

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide (CID 60615489) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(c3ccc(F)cc3)CCC2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
The InChIKey is RXNMCVOCAMECBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-16-4-9-19(30(27,28)25-12-13-29-2)14-20(16)21(26)24-15-22(10-3-11-22)17-5-7-18(23)8-6-17/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide has a molecular weight of 434.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 60615489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).