N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C22H27FN2O3S — CID 55746120

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc(C)c1C
InChIInChI=1S/C22H27FN2O3S/c1-15-12-17(13-20(16(15)2)29(27,28)24-3)21(26)25-14-22(10-4-5-11-22)18-6-8-19(23)9-7-18/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3,(H,25,26)
InChIKeyIHMVKFGAVTZQOC-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.59
Rot. Bonds6

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 55746120) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID55746120
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc(C)c1C
InChIInChI=1S/C22H27FN2O3S/c1-15-12-17(13-20(16(15)2)29(27,28)24-3)21(26)25-14-22(10-4-5-11-22)18-6-8-19(23)9-7-18/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3,(H,25,26)
InChIKeyIHMVKFGAVTZQOC-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-(methylsulfamoyl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24571384
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55666017
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
4-(carbamoylamino)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]benzamide
CID 60571999
N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
CID 46474337
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 55746120) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cc(C)c1C.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is IHMVKFGAVTZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-15-12-17(13-20(16(15)2)29(27,28)24-3)21(26)25-14-22(10-4-5-11-22)18-6-8-19(23)9-7-18/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3,(H,25,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 418.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55746120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).