2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide

C18H19N3O2S — CID 122161450

IUPAC2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCc1ccccc1OCC(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C18H19N3O2S/c1-14-5-2-3-6-17(14)23-12-18(22)19-11-16(15-7-10-24-13-15)21-9-4-8-20-21/h2-10,13,16H,11-12H2,1H3,(H,19,22)
InChIKeyUCNNJQMFTWCVSR-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.04
Rot. Bonds7

About 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide

2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 122161450) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID122161450
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
SMILESCc1ccccc1OCC(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C18H19N3O2S/c1-14-5-2-3-6-17(14)23-12-18(22)19-11-16(15-7-10-24-13-15)21-9-4-8-20-21/h2-10,13,16H,11-12H2,1H3,(H,19,22)
InChIKeyUCNNJQMFTWCVSR-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122244459
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931619
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
CID 103771719
2-(2-fluorophenoxy)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931345
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 126852795
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 30605386
2-(2-methylphenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625620

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide (CID 122161450) is 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide is Cc1ccccc1OCC(=O)NCC(c1ccsc1)n1cccn1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is UCNNJQMFTWCVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-14-5-2-3-6-17(14)23-12-18(22)19-11-16(15-7-10-24-13-15)21-9-4-8-20-21/h2-10,13,16H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide?
2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 122161450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).