2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide

C17H18FNO3S — CID 71857615

IUPAC2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(C(=O)N(C)c1ccccc1S(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-12(13-7-6-8-14(18)11-13)17(20)19(2)15-9-4-5-10-16(15)23(3,21)22/h4-12H,1-3H3
InChIKeyXUFOJAGDQYDESH-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.00
Rot. Bonds4

About 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide

2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide (PubChem CID 71857615) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide
PubChem CID71857615
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide
SMILESCC(C(=O)N(C)c1ccccc1S(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO3S/c1-12(13-7-6-8-14(18)11-13)17(20)19(2)15-9-4-5-10-16(15)23(3,21)22/h4-12H,1-3H3
InChIKeyXUFOJAGDQYDESH-UHFFFAOYSA-N
XLogP3.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-N-(2-methylsulfonylphenyl)-2-thiophen-3-ylpropanamide
CID 97044960
2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198714
bromo 2-(3-fluorophenyl)propanoate
CID 174735540
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
1-(N-methyl-2-methylsulfonylanilino)propan-2-ol
CID 62335208
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
3-butan-2-yl-N-methyl-N-(2-methylsulfonylphenyl)-1,2-oxazole-5-carboxamide
CID 71857620
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222703
(3S)-3-(3-fluorophenyl)butan-2-imine
CID 155426408

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide (CID 71857615) is 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide is CC(C(=O)N(C)c1ccccc1S(C)(=O)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide?
The InChIKey is XUFOJAGDQYDESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12(13-7-6-8-14(18)11-13)17(20)19(2)15-9-4-5-10-16(15)23(3,21)22/h4-12H,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide?
2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide has a molecular weight of 335.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 71857615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).