N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C18H21N5O4S — CID 24558486

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cnc2s1
InChIInChI=1S/C18H21N5O4S/c1-2-11-8-12-14(28-11)19-10-22(15(12)25)9-13(24)21-23-16(26)18(20-17(23)27)6-4-3-5-7-18/h8,10H,2-7,9H2,1H3,(H,20,27)(H,21,24)
InChIKeyBFUGUZNCLACXJK-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.31
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 24558486) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID24558486
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cnc2s1
InChIInChI=1S/C18H21N5O4S/c1-2-11-8-12-14(28-11)19-10-22(15(12)25)9-13(24)21-23-16(26)18(20-17(23)27)6-4-3-5-7-18/h8,10H,2-7,9H2,1H3,(H,20,27)(H,21,24)
InChIKeyBFUGUZNCLACXJK-UHFFFAOYSA-N
XLogP1.31
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.31
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

2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 36707086
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
6-ethyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 94014943
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 18203122
tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 35380437
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 55847097

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 24558486) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)NN3C(=O)NC4(CCCCC4)C3=O)cnc2s1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BFUGUZNCLACXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-2-11-8-12-14(28-11)19-10-22(15(12)25)9-13(24)21-23-16(26)18(20-17(23)27)6-4-3-5-7-18/h8,10H,2-7,9H2,1H3,(H,20,27)(H,21,24).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 403.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 24558486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).