N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide

C17H19FN2O3S — CID 53281833

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-11-10-14(6-9-16(11)20-24(3,22)23)17(21)19-12(2)13-4-7-15(18)8-5-13/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyRYLGAVXZFNLOMU-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide

N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide (PubChem CID 53281833) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
PubChem CID53281833
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(F)cc2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H19FN2O3S/c1-11-10-14(6-9-16(11)20-24(3,22)23)17(21)19-12(2)13-4-7-15(18)8-5-13/h4-10,12,20H,1-3H3,(H,19,21)
InChIKeyRYLGAVXZFNLOMU-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
4-(methanesulfonamido)-3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100566256
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92683182
3-chloro-4-(methanesulfonamido)-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 93486317
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
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
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide (CID 53281833) is N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide is Cc1cc(C(=O)NC(C)c2ccc(F)cc2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide?
The InChIKey is RYLGAVXZFNLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-11-10-14(6-9-16(11)20-24(3,22)23)17(21)19-12(2)13-4-7-15(18)8-5-13/h4-10,12,20H,1-3H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide?
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide is sourced from PubChem (CID 53281833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).