3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide

C24H25FN2O3S — CID 132672050

IUPAC3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccc(C)cc1
InChIInChI=1S/C24H25FN2O3S/c1-4-23(18-10-8-17(2)9-11-18)26-24(28)19-6-5-7-22(16-19)31(29,30)27(3)21-14-12-20(25)13-15-21/h5-16,23H,4H2,1-3H3,(H,26,28)
InChIKeySQVFFMYCJKNTQS-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.84
Rot. Bonds7

About 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide

3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide (PubChem CID 132672050) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
PubChem CID132672050
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC Name3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccc(C)cc1
InChIInChI=1S/C24H25FN2O3S/c1-4-23(18-10-8-17(2)9-11-18)26-24(28)19-6-5-7-22(16-19)31(29,30)27(3)21-14-12-20(25)13-15-21/h5-16,23H,4H2,1-3H3,(H,26,28)
InChIKeySQVFFMYCJKNTQS-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)-methylsulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132667870
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
N-(2,5-difluorophenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2711426
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
3-[(2-fluorophenyl)sulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132667869
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 132670833
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide (CID 132672050) is 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide is CCC(NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1)c1ccc(C)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide?
The InChIKey is SQVFFMYCJKNTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-4-23(18-10-8-17(2)9-11-18)26-24(28)19-6-5-7-22(16-19)31(29,30)27(3)21-14-12-20(25)13-15-21/h5-16,23H,4H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide?
3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 132672050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).