2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H20FNO3S — CID 42945833

IUPAC2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccccc1F
InChIInChI=1S/C18H20FNO3S/c1-13(14-8-10-16(11-9-14)24(3,22)23)20(2)18(21)12-15-6-4-5-7-17(15)19/h4-11,13H,12H2,1-3H3
InChIKeyMMXSGZKTIBGUFR-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds5

About 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 42945833) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID42945833
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccccc1F
InChIInChI=1S/C18H20FNO3S/c1-13(14-8-10-16(11-9-14)24(3,22)23)20(2)18(21)12-15-6-4-5-7-17(15)19/h4-11,13H,12H2,1-3H3
InChIKeyMMXSGZKTIBGUFR-UHFFFAOYSA-N
XLogP2.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 42945833) is 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is MMXSGZKTIBGUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(14-8-10-16(11-9-14)24(3,22)23)20(2)18(21)12-15-6-4-5-7-17(15)19/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 42945833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).