N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C26H22N4O2S — CID 19499069

About N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19499069) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
• PubChem CID: 19499069
• Molecular Formula: C26H22N4O2S
• Molecular Weight: 454.56 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
• SMILES: Cc1ccccc1Cn1cnc(NC(=O)c2cc(COc3ccc4ccccc4c3)cs2)n1
• InChI: InChI=1S/C26H22N4O2S/c1-18-6-2-3-9-22(18)14-30-17-27-26(29-30)28-25(31)24-12-19(16-33-24)15-32-23-11-10-20-7-4-5-8-21(20)13-23/h2-13,16-17H,14-15H2,1H3,(H,28,29,31)
• InChIKey: OGCHHOHCRRCMOZ-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.56
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The IUPAC name of N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19499069) is N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is Cc1ccccc1Cn1cnc(NC(=O)c2cc(COc3ccc4ccccc4c3)cs2)n1.

What is the InChIKey of N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The InChIKey is OGCHHOHCRRCMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-18-6-2-3-9-22(18)14-30-17-27-26(29-30)28-25(31)24-12-19(16-33-24)15-32-23-11-10-20-7-4-5-8-21(20)13-23/h2-13,16-17H,14-15H2,1H3,(H,28,29,31).

What are the key properties of N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19499069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).