2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide

C16H15N3O2S — CID 46869150

IUPAC2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-13-5-3-12(4-6-13)11-15(20)18-14-7-10-22-16(14)19-9-2-8-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyFOTNQVRTTZINQO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide

2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide (PubChem CID 46869150) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
PubChem CID46869150
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-13-5-3-12(4-6-13)11-15(20)18-14-7-10-22-16(14)19-9-2-8-17-19/h2-10H,11H2,1H3,(H,18,20)
InChIKeyFOTNQVRTTZINQO-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide (CID 46869150) is 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide is COc1ccc(CC(=O)Nc2ccsc2-n2cccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
The InChIKey is FOTNQVRTTZINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-13-5-3-12(4-6-13)11-15(20)18-14-7-10-22-16(14)19-9-2-8-17-19/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide?
2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-pyrazol-1-ylthiophen-3-yl)acetamide is sourced from PubChem (CID 46869150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).