2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C18H17FN2O2S — CID 51195284

IUPAC2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C18H17FN2O2S/c19-16-7-3-1-6-15(16)13-24-10-9-21-18(22)12-23-17-8-4-2-5-14(17)11-20/h1-8H,9-10,12-13H2,(H,21,22)
InChIKeyDPDGHFXGXDGISB-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.13
Rot. Bonds8

About 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 51195284) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID51195284
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C18H17FN2O2S/c19-16-7-3-1-6-15(16)13-24-10-9-21-18(22)12-23-17-8-4-2-5-14(17)11-20/h1-8H,9-10,12-13H2,(H,21,22)
InChIKeyDPDGHFXGXDGISB-UHFFFAOYSA-N
XLogP3.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.13
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-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 55378667
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8757095
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 24548844
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenoxy)acetamide
CID 8757102
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 8757113
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
4-fluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46653260
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-hydroxyphenyl)propanamide
CID 46653285
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 51195284) is 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is N#Cc1ccccc1OCC(=O)NCCSCc1ccccc1F.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is DPDGHFXGXDGISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-16-7-3-1-6-15(16)13-24-10-9-21-18(22)12-23-17-8-4-2-5-14(17)11-20/h1-8H,9-10,12-13H2,(H,21,22).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 51195284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).