N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

C17H18FNO3S — CID 614253

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeySYCOPHPNXJABFS-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide

N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (PubChem CID 614253) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
PubChem CID614253
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
SMILESCOc1cc(SC)ccc1C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKeySYCOPHPNXJABFS-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.37
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

JX401
CID 1126109
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
2-(benzylsulfanyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 1959067
7-Fluoro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CID 55250652
5-Fluoro-2-hydroxy-N-((R)-1-methyl-2-phenoxy-ethyl)-benzamide
CID 44288668
2-methoxy-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 748516
N-[2-(2-methylphenoxy)ethyl]-2-methylsulfanylbenzamide
CID 2287344
[2-(Cyclohexylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2343761
N-[2-(2-Fluorophenoxy)ethyl]-2-[[(4-fluorophenyl)methyl]thio]benzamide
CID 573357
N-[2-(2-chlorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 614249
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxy-4-(methylthio)benzamide
CID 614251
(4-Benzylpiperazin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1124072

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide (CID 614253) is N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is COc1cc(SC)ccc1C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
The InChIKey is SYCOPHPNXJABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-21-16-11-14(23-2)7-8-15(16)17(20)19-9-10-22-13-5-3-12(18)4-6-13/h3-8,11H,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide?
N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide has a molecular weight of 335.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-methoxy-4-methylsulfanylbenzamide is sourced from PubChem (CID 614253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).