N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide

C24H21N3O4S — CID 40869288

About N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide

N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide (PubChem CID 40869288) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

• Compound Name: N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide
• PubChem CID: 40869288
• Molecular Formula: C24H21N3O4S
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide
• SMILES: Cc1cccc(-n2nc3c(c2NC(=O)COc2cccc4ccccc24)CS(=O)(=O)C3)c1
• InChI: InChI=1S/C24H21N3O4S/c1-16-6-4-9-18(12-16)27-24(20-14-32(29,30)15-21(20)26-27)25-23(28)13-31-22-11-5-8-17-7-2-3-10-19(17)22/h2-12H,13-15H2,1H3,(H,25,28)
• InChIKey: URLYUMFRMKNMQY-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide?

The IUPAC name of N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide (CID 40869288) is N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide.

What is the SMILES notation for N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide?

The canonical SMILES for N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide is Cc1cccc(-n2nc3c(c2NC(=O)COc2cccc4ccccc24)CS(=O)(=O)C3)c1.

What is the InChIKey of N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide?

The InChIKey is URLYUMFRMKNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16-6-4-9-18(12-16)27-24(20-14-32(29,30)15-21(20)26-27)25-23(28)13-31-22-11-5-8-17-7-2-3-10-19(17)22/h2-12H,13-15H2,1H3,(H,25,28).

What are the key properties of N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide?

N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide has a molecular weight of 447.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 40869288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).