N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide

C22H24N4O4S — CID 30862330

About N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide

N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide (PubChem CID 30862330) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
• PubChem CID: 30862330
• Molecular Formula: C22H24N4O4S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.15
• IUPAC Name: N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide
• SMILES: COCCNC(=O)Cn1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2
• InChI: InChI=1S/C22H24N4O4S/c1-29-9-8-23-20(27)11-26-22(18-13-31-14-19(18)25-26)24-21(28)12-30-17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10H,8-9,11-14H2,1H3,(H,23,27)(H,24,28)
• InChIKey: HUBIWGAXEVDRPB-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?

The IUPAC name of N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide (CID 30862330) is N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide.

What is the SMILES notation for N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?

The canonical SMILES for N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide is COCCNC(=O)Cn1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2.

What is the InChIKey of N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?

The InChIKey is HUBIWGAXEVDRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-29-9-8-23-20(27)11-26-22(18-13-31-14-19(18)25-26)24-21(28)12-30-17-7-6-15-4-2-3-5-16(15)10-17/h2-7,10H,8-9,11-14H2,1H3,(H,23,27)(H,24,28).

What are the key properties of N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide?

N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide has a molecular weight of 440.53 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[3-[(2-naphthalen-2-yloxyacetyl)amino]-4,6-dihydrothieno[3,4-c]pyrazol-2-yl]acetamide is sourced from PubChem (CID 30862330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).