N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

C18H26N2O3S — CID 53184667

IUPACN-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C18H26N2O3S/c1-23-10-9-19-16(21)14-12-20(17(22)15-6-5-11-24-15)13-18(14)7-3-2-4-8-18/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeySUUUUKNGAZXRER-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.53
Rot. Bonds5

About N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide

N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53184667) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53184667
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILESCOCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2
InChIInChI=1S/C18H26N2O3S/c1-23-10-9-19-16(21)14-12-20(17(22)15-6-5-11-24-15)13-18(14)7-3-2-4-8-18/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,19,21)
InChIKeySUUUUKNGAZXRER-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 5154807
1-Morpholin-4-yl-2-phenyl-3-(thiophen-3-ylmethylamino)propan-1-one
CID 72022523
2-(2-methoxyethyl)-3-oxo-N-(1-thiophen-2-ylethyl)-1H-isoindole-4-carboxamide
CID 9551004
2-(2-methoxyethyl)-3-oxo-N-(thien-2-ylmethyl)isoindoline-4-carboxamide
CID 16193488
4-tert-butyl-N-[1-(morpholin-4-yl)-1-(thiophen-2-yl)propan-2-yl]benzamide
CID 16806519
1-(1-benzothiophene-3-carbonyl)-N-(2-methoxyethyl)azepane-4-carboxamide
CID 49790153
4-tert-butyl-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]benzamide
CID 17014753
N-ethyl-3-methyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 46943866
N-(2-methoxyethyl)-3-methyl-1-(4-phenylthiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 49778628
N-ethyl-3-methyl-1-(4-phenylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 49789119
N-(2-methoxyethyl)-1-(4-phenylthiophene-2-carbonyl)azepane-4-carboxamide
CID 49791109
7-[(5-Methyl-4-phenyl-3-thienyl)carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70788111

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide (CID 53184667) is N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is COCCNC(=O)C1CN(C(=O)c2cccs2)CC12CCCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is SUUUUKNGAZXRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-23-10-9-19-16(21)14-12-20(17(22)15-6-5-11-24-15)13-18(14)7-3-2-4-8-18/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide?
N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(thiophene-2-carbonyl)-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53184667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).