3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide

C18H21FN2O3S — CID 113142084

IUPAC3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-8-9-17(14(2)12-13)21(25(3,23)24)11-10-18(22)20-16-7-5-4-6-15(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyGXEIYDKLHCSQFM-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.24
Rot. Bonds6

About 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide (PubChem CID 113142084) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
PubChem CID113142084
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
SMILESCc1ccc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-8-9-17(14(2)12-13)21(25(3,23)24)11-10-18(22)20-16-7-5-4-6-15(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyGXEIYDKLHCSQFM-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 30168672
3-(2,6-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113147158
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
N-tert-butyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142055
2-(N-ethyl-2,4-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 78903764
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147393
N-(2-chlorophenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1203982
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 113144145

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide (CID 113142084) is 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide is Cc1ccc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide?
The InChIKey is GXEIYDKLHCSQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-8-9-17(14(2)12-13)21(25(3,23)24)11-10-18(22)20-16-7-5-4-6-15(16)19/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide?
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 113142084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).