2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

C18H23N3O3S — CID 8005883

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-20(11-13-5-7-14(25-2)8-6-13)15(22)12-21-16(23)18(19-17(21)24)9-3-4-10-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyZUMPEUXDUMUAMQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.23
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 8005883) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID8005883
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-20(11-13-5-7-14(25-2)8-6-13)15(22)12-21-16(23)18(19-17(21)24)9-3-4-10-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyZUMPEUXDUMUAMQ-UHFFFAOYSA-N
XLogP2.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 8005883) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CN(C)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is ZUMPEUXDUMUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(11-13-5-7-14(25-2)8-6-13)15(22)12-21-16(23)18(19-17(21)24)9-3-4-10-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 8005883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).