2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide

C17H16FN3O2S — CID 122265100

IUPAC2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccccc1F)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C17H16FN3O2S/c18-13-5-1-2-6-15(13)23-12-17(22)19-11-14(16-7-3-10-24-16)21-9-4-8-20-21/h1-10,14H,11-12H2,(H,19,22)
InChIKeyPLYVBRUBOFXWGQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.87
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide

2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 122265100) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID122265100
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccccc1F)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C17H16FN3O2S/c18-13-5-1-2-6-15(13)23-12-17(22)19-11-14(16-7-3-10-24-16)21-9-4-8-20-21/h1-10,14H,11-12H2,(H,19,22)
InChIKeyPLYVBRUBOFXWGQ-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
3-(2-bromophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265200
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
3-phenylsulfanyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propanamide
CID 122265128
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122161450
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide (CID 122265100) is 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide is O=C(COc1ccccc1F)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is PLYVBRUBOFXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-13-5-1-2-6-15(13)23-12-17(22)19-11-14(16-7-3-10-24-16)21-9-4-8-20-21/h1-10,14H,11-12H2,(H,19,22).
What are the key properties of 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide?
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 122265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).