2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide

C21H24N4O3S — CID 110223740

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(Cc1cccs1)c1ccccn1
InChIInChI=1S/C21H24N4O3S/c26-18(14-25-19(27)21(24-20(25)28)9-3-1-4-10-21)23-17(13-15-7-6-12-29-15)16-8-2-5-11-22-16/h2,5-8,11-12,17H,1,3-4,9-10,13-14H2,(H,23,26)(H,24,28)
InChIKeyONYREJZNCHNOHX-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.80
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide (PubChem CID 110223740) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
PubChem CID110223740
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(Cc1cccs1)c1ccccn1
InChIInChI=1S/C21H24N4O3S/c26-18(14-25-19(27)21(24-20(25)28)9-3-1-4-10-21)23-17(13-15-7-6-12-29-15)16-8-2-5-11-22-16/h2,5-8,11-12,17H,1,3-4,9-10,13-14H2,(H,23,26)(H,24,28)
InChIKeyONYREJZNCHNOHX-UHFFFAOYSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8949115
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide
CID 110223737
1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 110223746
(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55892057
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-2-thiophen-2-ylacetamide
CID 125441536
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 52523120
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 84601357
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 40713780

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide (CID 110223740) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC(Cc1cccs1)c1ccccn1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
The InChIKey is ONYREJZNCHNOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-18(14-25-19(27)21(24-20(25)28)9-3-1-4-10-21)23-17(13-15-7-6-12-29-15)16-8-2-5-11-22-16/h2,5-8,11-12,17H,1,3-4,9-10,13-14H2,(H,23,26)(H,24,28).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 110223740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).