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

C26H27N3O6S — CID 42820842

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

N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42820842) has the molecular formula C26H27N3O6S and a molecular weight of 509.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42820842
• Molecular Formula: C26H27N3O6S
• Molecular Weight: 509.58 g/mol
• Exact Mass: 509.16
• IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: COc1ccc(C(=O)N2C(C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccs2)CC3)cc1
• InChI: InChI=1S/C26H27N3O6S/c1-33-19-8-6-18(7-9-19)24(31)29-21(23(30)27-16-20-4-2-14-34-20)17-35-26(29)10-12-28(13-11-26)25(32)22-5-3-15-36-22/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,27,30)
• InChIKey: SDBFKGANBAZYAA-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.58
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42820842) is N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccc(C(=O)N2C(C(=O)NCc3ccco3)COC23CCN(C(=O)c2cccs2)CC3)cc1.

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

The InChIKey is SDBFKGANBAZYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6S/c1-33-19-8-6-18(7-9-19)24(31)29-21(23(30)27-16-20-4-2-14-34-20)17-35-26(29)10-12-28(13-11-26)25(32)22-5-3-15-36-22/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,27,30).

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

N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 509.58 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-(4-methoxybenzoyl)-8-(thiophene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).