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

C17H21N3O3S — CID 118492311

IUPAC2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(OCC(=O)N(Cc2cccs2)C2CNNC2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-2-5-15(8-14)23-12-17(21)20(13-9-18-19-10-13)11-16-6-3-7-24-16/h2-8,13,18-19H,9-12H2,1H3
InChIKeyOTWATOWDOGAEHZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.64
Rot. Bonds7

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

2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 118492311) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID118492311
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cccc(OCC(=O)N(Cc2cccs2)C2CNNC2)c1
InChIInChI=1S/C17H21N3O3S/c1-22-14-4-2-5-15(8-14)23-12-17(21)20(13-9-18-19-10-13)11-16-6-3-7-24-16/h2-8,13,18-19H,9-12H2,1H3
InChIKeyOTWATOWDOGAEHZ-UHFFFAOYSA-N
XLogP1.64
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenoxy)-N-pyridin-3-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67510974
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
N-(1,1-dioxothiolan-3-yl)-2-(3-iodophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 43030993
2-(3-methoxyphenoxy)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)acetamide chloride
CID 67511124
2-(1,3-benzodioxol-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 77305603
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7183268
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 42762998

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide (CID 118492311) is 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide is COc1cccc(OCC(=O)N(Cc2cccs2)C2CNNC2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OTWATOWDOGAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-22-14-4-2-5-15(8-14)23-12-17(21)20(13-9-18-19-10-13)11-16-6-3-7-24-16/h2-8,13,18-19H,9-12H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide?
2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-pyrazolidin-4-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 118492311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).