2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

C19H19FN2O3S — CID 55378667

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-24-18-10-14(11-21)6-7-17(18)25-12-19(23)22-8-9-26-13-15-4-2-3-5-16(15)20/h2-7,10H,8-9,12-13H2,1H3,(H,22,23)
InChIKeyOVSWKEWPZCZAER-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.13
Rot. Bonds9

About 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide

2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 55378667) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID55378667
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCCSCc1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-24-18-10-14(11-21)6-7-17(18)25-12-19(23)22-8-9-26-13-15-4-2-3-5-16(15)20/h2-7,10H,8-9,12-13H2,1H3,(H,22,23)
InChIKeyOVSWKEWPZCZAER-UHFFFAOYSA-N
XLogP3.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 51195284
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249131
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methoxyphenoxy)propanamide
CID 132654566
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757900
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 8757113
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 4083010
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
N-[2-(2-fluorophenyl)ethyl]-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112993325
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8757095

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide (CID 55378667) is 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is COc1cc(C#N)ccc1OCC(=O)NCCSCc1ccccc1F.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is OVSWKEWPZCZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-24-18-10-14(11-21)6-7-17(18)25-12-19(23)22-8-9-26-13-15-4-2-3-5-16(15)20/h2-7,10H,8-9,12-13H2,1H3,(H,22,23).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 55378667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).