2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide

C24H27N3O3S — CID 53490419

IUPAC2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1
InChIInChI=1S/C24H27N3O3S/c1-30-19-11-9-17(10-12-19)22-23(29)27(24(26-22)13-4-3-5-14-24)16-21(28)25-18-7-6-8-20(15-18)31-2/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,25,28)
InChIKeyPBQWARMYUYTEJV-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.35
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 53490419) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID53490419
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1
InChIInChI=1S/C24H27N3O3S/c1-30-19-11-9-17(10-12-19)22-23(29)27(24(26-22)13-4-3-5-14-24)16-21(28)25-18-7-6-8-20(15-18)31-2/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,25,28)
InChIKeyPBQWARMYUYTEJV-UHFFFAOYSA-N
XLogP4.35
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 53490419) is 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(C2=NC3(CCCCC3)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is PBQWARMYUYTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-30-19-11-9-17(10-12-19)22-23(29)27(24(26-22)13-4-3-5-14-24)16-21(28)25-18-7-6-8-20(15-18)31-2/h6-12,15H,3-5,13-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 437.57 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 53490419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).