4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C25H25N3O5S — CID 71956125

About 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 71956125) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 71956125
• Molecular Formula: C25H25N3O5S
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.15
• IUPAC Name: 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1
• InChI: InChI=1S/C25H25N3O5S/c29-22(26-16-19-8-4-14-32-19)20-17-33-25(28(20)23(30)18-6-2-1-3-7-18)10-12-27(13-11-25)24(31)21-9-5-15-34-21/h1-9,14-15,20H,10-13,16-17H2,(H,26,29)
• InChIKey: BOJXFIFGEYAEHW-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The IUPAC name of 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 71956125) is 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1ccco1)C1COC2(CCN(C(=O)c3cccs3)CC2)N1C(=O)c1ccccc1.

What is the InChIKey of 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The InChIKey is BOJXFIFGEYAEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c29-22(26-16-19-8-4-14-32-19)20-17-33-25(28(20)23(30)18-6-2-1-3-7-18)10-12-27(13-11-25)24(31)21-9-5-15-34-21/h1-9,14-15,20H,10-13,16-17H2,(H,26,29).

What are the key properties of 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzoyl-N-(furan-2-ylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).