2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H17N3O3S — CID 163476137

IUPAC2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OCC(=O)N(Cc2cccs2)C2=CN=NC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-14-4-6-15(7-5-14)23-12-17(21)20(13-9-18-19-10-13)11-16-3-2-8-24-16/h2-9H,10-12H2,1H3
InChIKeyCAOIYIHYVAHQGR-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.47
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 163476137) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID163476137
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(OCC(=O)N(Cc2cccs2)C2=CN=NC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-22-14-4-6-15(7-5-14)23-12-17(21)20(13-9-18-19-10-13)11-16-3-2-8-24-16/h2-9H,10-12H2,1H3
InChIKeyCAOIYIHYVAHQGR-UHFFFAOYSA-N
XLogP3.47
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974
(E)-3-(4-methylphenyl)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 163900131
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
CID 67511124
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 163476137) is 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(OCC(=O)N(Cc2cccs2)C2=CN=NC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CAOIYIHYVAHQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-14-4-6-15(7-5-14)23-12-17(21)20(13-9-18-19-10-13)11-16-3-2-8-24-16/h2-9H,10-12H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 163476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).