3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

C24H28N4O4S — CID 3720246

About 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (PubChem CID 3720246) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
• PubChem CID: 3720246
• Molecular Formula: C24H28N4O4S
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.18
• IUPAC Name: 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide
• SMILES: CSc1ncccc1C(=O)N1CCC2(CCN(C(=O)CNC(=O)C=Cc3ccco3)C2)CC1
• InChI: InChI=1S/C24H28N4O4S/c1-33-22-19(5-2-11-25-22)23(31)27-12-8-24(9-13-27)10-14-28(17-24)21(30)16-26-20(29)7-6-18-4-3-15-32-18/h2-7,11,15H,8-10,12-14,16-17H2,1H3,(H,26,29)
• InChIKey: MDYHUWUGSGGVQA-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 95.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?

The IUPAC name of 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide (CID 3720246) is 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide.

What is the SMILES notation for 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?

The canonical SMILES for 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is CSc1ncccc1C(=O)N1CCC2(CCN(C(=O)CNC(=O)C=Cc3ccco3)C2)CC1.

What is the InChIKey of 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?

The InChIKey is MDYHUWUGSGGVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-33-22-19(5-2-11-25-22)23(31)27-12-8-24(9-13-27)10-14-28(17-24)21(30)16-26-20(29)7-6-18-4-3-15-32-18/h2-7,11,15H,8-10,12-14,16-17H2,1H3,(H,26,29).

What are the key properties of 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide?

3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide has a molecular weight of 468.58 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 3720246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).