N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

C18H19N3O2S — CID 163992035

IUPACN-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCc1ccnn1-c1sccc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-14-8-10-19-21(14)18-16(9-11-24-18)20-17(22)12-13-4-6-15(23-2)7-5-13/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyUBLXWPLEWAJPPG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide

N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 163992035) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID163992035
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCc1ccnn1-c1sccc1NC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O2S/c1-3-14-8-10-19-21(14)18-16(9-11-24-18)20-17(22)12-13-4-6-15(23-2)7-5-13/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyUBLXWPLEWAJPPG-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide (CID 163992035) is N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is CCc1ccnn1-c1sccc1NC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UBLXWPLEWAJPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-14-8-10-19-21(14)18-16(9-11-24-18)20-17(22)12-13-4-6-15(23-2)7-5-13/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethylpyrazol-1-yl)thiophen-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 163992035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).