3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C19H24N4O5S — CID 30862305

About 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 30862305) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• PubChem CID: 30862305
• Molecular Formula: C19H24N4O5S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.15
• IUPAC Name: 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
• SMILES: COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(OC)cc(OC)c1)CSC2
• InChI: InChI=1S/C19H24N4O5S/c1-26-5-4-20-17(24)9-23-18(15-10-29-11-16(15)22-23)21-19(25)12-6-13(27-2)8-14(7-12)28-3/h6-8H,4-5,9-11H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: FQIVVYIHAPAPHO-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 103.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 30862305) is 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(OC)cc(OC)c1)CSC2.

What is the InChIKey of 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

The InChIKey is FQIVVYIHAPAPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-26-5-4-20-17(24)9-23-18(15-10-29-11-16(15)22-23)21-19(25)12-6-13(27-2)8-14(7-12)28-3/h6-8H,4-5,9-11H2,1-3H3,(H,20,24)(H,21,25).

What are the key properties of 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?

3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 420.49 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[2-[2-(2-methoxyethylamino)-2-oxoethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 30862305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).