2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

C19H29N3O3S — CID 70787317

IUPAC2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCOCCN1CC2(CCCN(C(=O)NCCc3cccs3)C2)CCC1=O
InChIInChI=1S/C19H29N3O3S/c1-25-12-11-21-14-19(8-5-17(21)23)7-3-10-22(15-19)18(24)20-9-6-16-4-2-13-26-16/h2,4,13H,3,5-12,14-15H2,1H3,(H,20,24)
InChIKeySNOSBOCJKBMIEQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.35
Rot. Bonds6

About 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide

2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 70787317) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID70787317
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCOCCN1CC2(CCCN(C(=O)NCCc3cccs3)C2)CCC1=O
InChIInChI=1S/C19H29N3O3S/c1-25-12-11-21-14-19(8-5-17(21)23)7-3-10-22(15-19)18(24)20-9-6-16-4-2-13-26-16/h2,4,13H,3,5-12,14-15H2,1H3,(H,20,24)
InChIKeySNOSBOCJKBMIEQ-UHFFFAOYSA-N
XLogP2.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide with MolForge

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Related Compounds

US11685734, Example 31
CID 168474553
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N-(1-(2-methoxyethyl)piperidin-4-yl)-1-(thiophen-2-yl)cyclopentanecarboxamide
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N-(2-methoxyethyl)-4-(thiophen-2-yl)piperidine-1-carboxamide
CID 71786930
3-Fluoro-N-(2-methoxyethyl)-1-[2-(thiophen-2-YL)acetyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 70787317) is 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is COCCN1CC2(CCCN(C(=O)NCCc3cccs3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is SNOSBOCJKBMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-25-12-11-21-14-19(8-5-17(21)23)7-3-10-22(15-19)18(24)20-9-6-16-4-2-13-26-16/h2,4,13H,3,5-12,14-15H2,1H3,(H,20,24).
What are the key properties of 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide?
2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3-oxo-N-(2-thiophen-2-ylethyl)-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 70787317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).