N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide

C26H28N4O3S — CID 55335287

IUPACN-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)N(CCc1ccccc1)c1nc3ccccc3s1)C2=O
InChIInChI=1S/C26H28N4O3S/c1-18-9-7-8-15-26(18)23(32)30(24(33)28-26)17-22(31)29(16-14-19-10-3-2-4-11-19)25-27-20-12-5-6-13-21(20)34-25/h2-6,10-13,18H,7-9,14-17H2,1H3,(H,28,33)
InChIKeyCLKAOECTIZGPNY-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.37
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 55335287) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID55335287
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)N(CCc1ccccc1)c1nc3ccccc3s1)C2=O
InChIInChI=1S/C26H28N4O3S/c1-18-9-7-8-15-26(18)23(32)30(24(33)28-26)17-22(31)29(16-14-19-10-3-2-4-11-19)25-27-20-12-5-6-13-21(20)34-25/h2-6,10-13,18H,7-9,14-17H2,1H3,(H,28,33)
InChIKeyCLKAOECTIZGPNY-UHFFFAOYSA-N
XLogP4.37
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide
CID 55335327
N-(1,3-benzothiazol-2-yl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8882105
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 40863649
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135625053
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 26212357
1,3-benzothiazol-2-ylmethyl-methyl-[[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]azanium
CID 9282278
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
(5R,6S)-6-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41131173

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide (CID 55335287) is N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide is CC1CCCCC12NC(=O)N(CC(=O)N(CCc1ccccc1)c1nc3ccccc3s1)C2=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is CLKAOECTIZGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-18-9-7-8-15-26(18)23(32)30(24(33)28-26)17-22(31)29(16-14-19-10-3-2-4-11-19)25-27-20-12-5-6-13-21(20)34-25/h2-6,10-13,18H,7-9,14-17H2,1H3,(H,28,33).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 476.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).