N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide

C17H18FNO4S — CID 18113575

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H18FNO4S/c1-12-7-8-13(24(2,21)22)11-14(12)17(20)19-9-10-23-16-6-4-3-5-15(16)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFCWRIMJTSLILAN-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide

N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 18113575) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID18113575
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NCCOc1ccccc1F
InChIInChI=1S/C17H18FNO4S/c1-12-7-8-13(24(2,21)22)11-14(12)17(20)19-9-10-23-16-6-4-3-5-15(16)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeyFCWRIMJTSLILAN-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
N-[2-(2-Fluorophenoxy)ethyl]-2-[[(4-fluorophenyl)methyl]thio]benzamide
CID 573357
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-(methylthio)benzamide
CID 614251
N-[2-(4-ethylphenoxy)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]benzamide
CID 2174469
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
4-[(dimethylamino)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 2293105
N-[2-(3-methylphenoxy)ethyl]-2-(methylthio)benzamide
CID 2295662
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 614253
4-(dimethylsulfamoyl)-N-[2-(4-ethylphenoxy)ethyl]benzamide
CID 2194745
2-(benzylthio)-N-[2-(4-ethylphenoxy)ethyl]benzamide
CID 2296331
4-{[(methylsulfonyl)amino]methyl}-N-(2-phenoxyethyl)benzamide
CID 2971855

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide (CID 18113575) is N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is FCWRIMJTSLILAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12-7-8-13(24(2,21)22)11-14(12)17(20)19-9-10-23-16-6-4-3-5-15(16)18/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide?
N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 351.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 18113575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).