2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C20H24N4O5S2 — CID 55335075

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)C2=O
InChIInChI=1S/C20H24N4O5S2/c1-3-12-6-8-20(9-7-12)17(26)24(19(27)23-20)11-16(25)22-18-21-14-5-4-13(31(2,28)29)10-15(14)30-18/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,23,27)(H,21,22,25)
InChIKeyYQBIIPNXKWXWFX-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.53
Rot. Bonds5

About 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 55335075) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID55335075
Molecular FormulaC20H24N4O5S2
Molecular Weight464.57 g/mol
Exact Mass464.12
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)C2=O
InChIInChI=1S/C20H24N4O5S2/c1-3-12-6-8-20(9-7-12)17(26)24(19(27)23-20)11-16(25)22-18-21-14-5-4-13(31(2,28)29)10-15(14)30-18/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,23,27)(H,21,22,25)
InChIKeyYQBIIPNXKWXWFX-UHFFFAOYSA-N
XLogP2.53
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55768341
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979365
2-(azepan-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 650783
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241811
2-(4-methylpiperidin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide;oxalic acid
CID 171668780
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 17411026
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 51861771
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 112762054
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55468067
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921

Frequently Asked Questions

What is the IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 55335075) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3ccc(S(C)(=O)=O)cc3s1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YQBIIPNXKWXWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c1-3-12-6-8-20(9-7-12)17(26)24(19(27)23-20)11-16(25)22-18-21-14-5-4-13(31(2,28)29)10-15(14)30-18/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,23,27)(H,21,22,25).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 55335075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).