2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide

C23H25N3O3S — CID 18592489

About 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide

2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 18592489) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
• PubChem CID: 18592489
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide
• SMILES: COc1cc(OC)cc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C23H25N3O3S/c1-28-18-12-16(13-19(14-18)29-2)21-22(26-23(25-21)10-6-7-11-23)30-15-20(27)24-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,24,27)
• InChIKey: FQOULGPJTLYRRE-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?

The IUPAC name of 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide (CID 18592489) is 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide.

What is the SMILES notation for 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?

The canonical SMILES for 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide is COc1cc(OC)cc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccccc2)c1.

What is the InChIKey of 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?

The InChIKey is FQOULGPJTLYRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-28-18-12-16(13-19(14-18)29-2)21-22(26-23(25-21)10-6-7-11-23)30-15-20(27)24-17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11,15H2,1-2H3,(H,24,27).

What are the key properties of 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide?

2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 423.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(3,5-dimethoxyphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 18592489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).