4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

C28H25N3O2S — CID 19471638

About 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide

4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 19471638) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
• PubChem CID: 19471638
• Molecular Formula: C28H25N3O2S
• Molecular Weight: 467.59 g/mol
• Exact Mass: 467.17
• IUPAC Name: 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C)c(OCc2csc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)c2)c1
• InChI: InChI=1S/C28H25N3O2S/c1-19-10-11-20(2)26(12-19)33-17-21-13-27(34-18-21)28(32)30-24-14-29-31(16-24)15-23-8-5-7-22-6-3-4-9-25(22)23/h3-14,16,18H,15,17H2,1-2H3,(H,30,32)
• InChIKey: ABYOLANGLGAITG-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.59
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide (CID 19471638) is 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is Cc1ccc(C)c(OCc2csc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)c2)c1.

What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?

The InChIKey is ABYOLANGLGAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c1-19-10-11-20(2)26(12-19)33-17-21-13-27(34-18-21)28(32)30-24-14-29-31(16-24)15-23-8-5-7-22-6-3-4-9-25(22)23/h3-14,16,18H,15,17H2,1-2H3,(H,30,32).

What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide?

4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 19471638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).