2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide

C19H23FN2O3S — CID 132656825

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(23)15(4)22(26(5,24)25)17-8-6-7-16(20)11-17/h6-11,15H,1-5H3,(H,21,23)
InChIKeyFGZHIFZEBDWASF-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds5

About 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 132656825) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID132656825
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C19H23FN2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(23)15(4)22(26(5,24)25)17-8-6-7-16(20)11-17/h6-11,15H,1-5H3,(H,21,23)
InChIKeyFGZHIFZEBDWASF-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
2-(4-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 84894608
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2S)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125076618
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132793
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide (CID 132656825) is 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is FGZHIFZEBDWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-12-9-13(2)18(14(3)10-12)21-19(23)15(4)22(26(5,24)25)17-8-6-7-16(20)11-17/h6-11,15H,1-5H3,(H,21,23).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 132656825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).