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

C23H29N5O4S — CID 55768341

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cc2s1
InChIInChI=1S/C23H29N5O4S/c1-13(29)24-20-26-16-6-5-15(11-17(16)33-20)25-18(30)12-28-19(31)23(27-21(28)32)9-7-14(8-10-23)22(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3,(H,25,30)(H,27,32)(H,24,26,29)
InChIKeyUFDVVPDFMDFGEE-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.72
Rot. Bonds4

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

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55768341) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55768341
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cc2s1
InChIInChI=1S/C23H29N5O4S/c1-13(29)24-20-26-16-6-5-15(11-17(16)33-20)25-18(30)12-28-19(31)23(27-21(28)32)9-7-14(8-10-23)22(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3,(H,25,30)(H,27,32)(H,24,26,29)
InChIKeyUFDVVPDFMDFGEE-UHFFFAOYSA-N
XLogP3.72
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 24627844
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
4-[[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide
CID 55990684
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7915218
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36947132
N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 4799017
N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41000992
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 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) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC(=O)Nc1nc2ccc(NC(=O)CN3C(=O)NC4(CCC(C(C)(C)C)CC4)C3=O)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UFDVVPDFMDFGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-13(29)24-20-26-16-6-5-15(11-17(16)33-20)25-18(30)12-28-19(31)23(27-21(28)32)9-7-14(8-10-23)22(2,3)4/h5-6,11,14H,7-10,12H2,1-4H3,(H,25,30)(H,27,32)(H,24,26,29).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55768341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).