N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide

C20H17N3OS — CID 46869147

IUPACN-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
SMILESCn1ccc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3OS/c1-23-11-9-18(22-23)20-17(10-12-25-20)21-19(24)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-12H,13H2,1H3,(H,21,24)
InChIKeyUNKZYKXHTPRCOC-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.48
Rot. Bonds4

About N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide

N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide (PubChem CID 46869147) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
PubChem CID46869147
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide
SMILESCn1ccc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3OS/c1-23-11-9-18(22-23)20-17(10-12-25-20)21-19(24)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-12H,13H2,1H3,(H,21,24)
InChIKeyUNKZYKXHTPRCOC-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide (CID 46869147) is N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide is Cn1ccc(-c2sccc2NC(=O)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is UNKZYKXHTPRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-23-11-9-18(22-23)20-17(10-12-25-20)21-19(24)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide?
N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 347.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)thiophen-3-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 46869147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).