N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide

C18H20FNO3S — CID 46828347

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-12(2)17(13-4-8-15(19)9-5-13)20-18(21)14-6-10-16(11-7-14)24(3,22)23/h4-12,17H,1-3H3,(H,20,21)
InChIKeyWGDYTGJTZPFMLT-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.36
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide (PubChem CID 46828347) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
PubChem CID46828347
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide
SMILESCC(C)C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3S/c1-12(2)17(13-4-8-15(19)9-5-13)20-18(21)14-6-10-16(11-7-14)24(3,22)23/h4-12,17H,1-3H3,(H,20,21)
InChIKeyWGDYTGJTZPFMLT-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9051085
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623
4-acetyl-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 26544292
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
N-[1-(4-fluorophenyl)-2-methylpropyl]methanesulfonamide
CID 47121983

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide (CID 46828347) is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide is CC(C)C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide?
The InChIKey is WGDYTGJTZPFMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-12(2)17(13-4-8-15(19)9-5-13)20-18(21)14-6-10-16(11-7-14)24(3,22)23/h4-12,17H,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 46828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).