N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H23N3O6S — CID 91892529

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O6S/c1-12(13-3-5-14(27-2)6-4-13)19-15(22)11-21-16(23)18(20-17(21)24)7-9-28(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyJOIUUCCUZCBYFS-UHFFFAOYSA-N
MW409.46 g/mol
LogP0.37
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 91892529) has the molecular formula C18H23N3O6S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID91892529
Molecular FormulaC18H23N3O6S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1
InChIInChI=1S/C18H23N3O6S/c1-12(13-3-5-14(27-2)6-4-13)19-15(22)11-21-16(23)18(20-17(21)24)7-9-28(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyJOIUUCCUZCBYFS-UHFFFAOYSA-N
XLogP0.37
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 31286642
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
N-(4-propan-2-ylphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892508
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46975301
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 55395084
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 94781992
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 47009609
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 91892529) is N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(C(C)NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JOIUUCCUZCBYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S/c1-12(13-3-5-14(27-2)6-4-13)19-15(22)11-21-16(23)18(20-17(21)24)7-9-28(25,26)10-8-18/h3-6,12H,7-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 409.46 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 91892529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).