2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H20FNO3S — CID 42945810

IUPAC2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO3S/c1-13(15-7-9-17(10-8-15)24(3,22)23)20(2)18(21)12-14-5-4-6-16(19)11-14/h4-11,13H,12H2,1-3H3
InChIKeyDJPVUZUPBUKKED-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds5

About 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 42945810) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID42945810
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H20FNO3S/c1-13(15-7-9-17(10-8-15)24(3,22)23)20(2)18(21)12-14-5-4-6-16(19)11-14/h4-11,13H,12H2,1-3H3
InChIKeyDJPVUZUPBUKKED-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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Related Compounds

N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
N-[1-(4-fluorophenyl)ethyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86913404
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-(3,3-dimethylbutan-2-yl)-2-(3-fluorophenyl)-N-methylacetamide
CID 47023720
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
N-[(3-fluorophenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534239
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55551698
N-[3-[1-[[2-(3-fluorophenyl)acetyl]-methylamino]ethyl]phenyl]benzamide
CID 46537955
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 42945810) is 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is DJPVUZUPBUKKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13(15-7-9-17(10-8-15)24(3,22)23)20(2)18(21)12-14-5-4-6-16(19)11-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(3-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-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 42945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).