N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide

C18H26N4O4S — CID 166285609

IUPACN-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide
SMILESC=Cn1nccc1C(=O)N1CCOC2(CCS(=O)(=NC(=O)CCC)CC2)C1
InChIInChI=1S/C18H26N4O4S/c1-3-5-16(23)20-27(25)12-7-18(8-13-27)14-21(10-11-26-18)17(24)15-6-9-19-22(15)4-2/h4,6,9H,2-3,5,7-8,10-14H2,1H3
InChIKeySFZNZZPKNJMALS-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide

N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide (PubChem CID 166285609) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide.

Molecular Properties

Compound NameN-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide
PubChem CID166285609
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide
SMILESC=Cn1nccc1C(=O)N1CCOC2(CCS(=O)(=NC(=O)CCC)CC2)C1
InChIInChI=1S/C18H26N4O4S/c1-3-5-16(23)20-27(25)12-7-18(8-13-27)14-21(10-11-26-18)17(24)15-6-9-19-22(15)4-2/h4,6,9H,2-3,5,7-8,10-14H2,1H3
InChIKeySFZNZZPKNJMALS-UHFFFAOYSA-N
XLogP1.78
TPSA93.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(5-cyano-1-methylpyrrole-2-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 167746828
N-[9-oxo-4-(2-thiophen-3-ylpropanoyl)-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]propanamide
CID 166285542
N-[4-[3-(1-methylpyrazol-4-yl)butanoyl]-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 167805812
N-[4-[(2S)-2-hydroxypropanoyl]-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-(3-methylimidazol-4-yl)acetamide
CID 166285666
N-[4-(2-fluorocyclopropanecarbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
CID 167949604
(1-hydroxy-6-sulfanylidene-2-pyridinyl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134886
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
N-(4-acetyl-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)-1-(3-methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxamide
CID 166272137
(9-oxo-9-phenylimino-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-(1,3-thiazol-5-yl)methanone
CID 146114622
[1-[(2-fluorophenyl)methyl]cyclopropyl]-(9-methylimino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114652
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-isoquinolin-7-ylmethanone
CID 146114578

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide?
The IUPAC name of N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide (CID 166285609) is N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide.
What is the SMILES notation for N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide?
The canonical SMILES for N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide is C=Cn1nccc1C(=O)N1CCOC2(CCS(=O)(=NC(=O)CCC)CC2)C1.
What is the InChIKey of N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide?
The InChIKey is SFZNZZPKNJMALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-3-5-16(23)20-27(25)12-7-18(8-13-27)14-21(10-11-26-18)17(24)15-6-9-19-22(15)4-2/h4,6,9H,2-3,5,7-8,10-14H2,1H3.
What are the key properties of N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide?
N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide has a molecular weight of 394.50 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethenylpyrazole-3-carbonyl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]butanamide is sourced from PubChem (CID 166285609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).