2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide

C17H19FN2O2S — CID 121085126

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCCN(Cc1ccncc1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-22-11-10-20(12-14-6-8-19-9-7-14)17(21)13-23-16-4-2-15(18)3-5-16/h2-9H,10-13H2,1H3
InChIKeyZUUDJFDJMLYUKN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds8

About 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 121085126) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID121085126
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCCN(Cc1ccncc1)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-22-11-10-20(12-14-6-8-19-9-7-14)17(21)13-23-16-4-2-15(18)3-5-16/h2-9H,10-13H2,1H3
InChIKeyZUUDJFDJMLYUKN-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 121085126) is 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide is COCCN(Cc1ccncc1)C(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZUUDJFDJMLYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-22-11-10-20(12-14-6-8-19-9-7-14)17(21)13-23-16-4-2-15(18)3-5-16/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 121085126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).