3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide

C18H20FNO3S — CID 56791677

IUPAC3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
SMILESCc1c(CS(C)(=O)=O)cccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C18H20FNO3S/c1-13-15(12-24(2,22)23)7-5-9-17(13)20-18(21)11-10-14-6-3-4-8-16(14)19/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyLJMAARROEDHOSG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide

3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide (PubChem CID 56791677) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
PubChem CID56791677
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
SMILESCc1c(CS(C)(=O)=O)cccc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C18H20FNO3S/c1-13-15(12-24(2,22)23)7-5-9-17(13)20-18(21)11-10-14-6-3-4-8-16(14)19/h3-9H,10-12H2,1-2H3,(H,20,21)
InChIKeyLJMAARROEDHOSG-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide
CID 120611008
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
N-(2-benzylphenyl)-3-(2-fluorophenyl)propanamide
CID 9397387
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
3-(2-fluorophenyl)-N-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934271
3-(2-aminophenyl)-N-[3-(tert-butylsulfamoyl)-2-methylphenyl]propanamide
CID 120611166
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-fluorophenyl)propanamide
CID 78810399
2-amino-3-methyl-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119793659
6-[[2-methyl-3-(methylsulfonylmethyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128325

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide (CID 56791677) is 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide is Cc1c(CS(C)(=O)=O)cccc1NC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide?
The InChIKey is LJMAARROEDHOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13-15(12-24(2,22)23)7-5-9-17(13)20-18(21)11-10-14-6-3-4-8-16(14)19/h3-9H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide?
3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-methyl-3-(methylsulfonylmethyl)phenyl]propanamide is sourced from PubChem (CID 56791677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).