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

C17H17N3O2S — CID 46869151

IUPAC2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-10-18-20(11-12)17-15(7-8-23-17)19-16(21)9-13-3-5-14(22-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyUEXZHPNBIYUBAX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.43
Rot. Bonds5

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

2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide (PubChem CID 46869151) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide
PubChem CID46869151
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1
InChIInChI=1S/C17H17N3O2S/c1-12-10-18-20(11-12)17-15(7-8-23-17)19-16(21)9-13-3-5-14(22-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyUEXZHPNBIYUBAX-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.43
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-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide (CID 46869151) is 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccsc2-n2cc(C)cn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide?
The InChIKey is UEXZHPNBIYUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-10-18-20(11-12)17-15(7-8-23-17)19-16(21)9-13-3-5-14(22-2)6-4-13/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.43, 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-(4-methylpyrazol-1-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46869151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).