N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide

C18H21FN2O3S — CID 46474337

IUPACN-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2)cc(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(10-17(13(12)2)25(23,24)20-3)18(22)21(4)11-14-5-7-16(19)8-6-14/h5-10,20H,11H2,1-4H3
InChIKeyGWXSREKIEQTUEH-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide

N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 46474337) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
PubChem CID46474337
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2)cc(C)c1C
InChIInChI=1S/C18H21FN2O3S/c1-12-9-15(10-17(13(12)2)25(23,24)20-3)18(22)21(4)11-14-5-7-16(19)8-6-14/h5-10,20H,11H2,1-4H3
InChIKeyGWXSREKIEQTUEH-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3,5-dinitrobenzamide
CID 78770425
3-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 43574101
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
N-[(4-fluorophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 78771151
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide (CID 46474337) is N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2)cc(C)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is GWXSREKIEQTUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-12-9-15(10-17(13(12)2)25(23,24)20-3)18(22)21(4)11-14-5-7-16(19)8-6-14/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide?
N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 364.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,3,4-trimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 46474337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).