3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide

C19H23FN2O3S — CID 134028865

IUPAC3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H23FN2O3S/c1-12-10-16(11-18(13(12)2)26(24,25)22(4)5)19(23)21-14(3)15-6-8-17(20)9-7-15/h6-11,14H,1-5H3,(H,21,23)
InChIKeyRODFKESPSCLWNO-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.18
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide

3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide (PubChem CID 134028865) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
PubChem CID134028865
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H23FN2O3S/c1-12-10-16(11-18(13(12)2)26(24,25)22(4)5)19(23)21-14(3)15-6-8-17(20)9-7-15/h6-11,14H,1-5H3,(H,21,23)
InChIKeyRODFKESPSCLWNO-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 134028925
3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55792937
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55862606
4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030736
N-[1-(4-ethylphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 46520353
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 94018670
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methyl-3,5-dinitrobenzamide
CID 27773338

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide (CID 134028865) is 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide is Cc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide?
The InChIKey is RODFKESPSCLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-12-10-16(11-18(13(12)2)26(24,25)22(4)5)19(23)21-14(3)15-6-8-17(20)9-7-15/h6-11,14H,1-5H3,(H,21,23).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide?
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide is sourced from PubChem (CID 134028865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).