N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide

C18H25F3N2O2S — CID 167759982

IUPACN-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(CCOCC(F)(F)F)CC2
InChIInChI=1S/C18H25F3N2O2S/c1-14(24)23(11-15-2-9-26-12-15)16-10-17(16)3-5-22(6-4-17)7-8-25-13-18(19,20)21/h2,9,12,16H,3-8,10-11,13H2,1H3
InChIKeyPWGXCWIYIJSBRD-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.53
Rot. Bonds7

About N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide

N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide (PubChem CID 167759982) has the molecular formula C18H25F3N2O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
PubChem CID167759982
Molecular FormulaC18H25F3N2O2S
Molecular Weight390.47 g/mol
Exact Mass390.16
IUPAC NameN-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(CCOCC(F)(F)F)CC2
InChIInChI=1S/C18H25F3N2O2S/c1-14(24)23(11-15-2-9-26-12-15)16-10-17(16)3-5-22(6-4-17)7-8-25-13-18(19,20)21/h2,9,12,16H,3-8,10-11,13H2,1H3
InChIKeyPWGXCWIYIJSBRD-UHFFFAOYSA-N
XLogP3.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240
N-[(2S)-6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129478324
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393
N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128994950
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-[6-(4-methoxypyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971972

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The IUPAC name of N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide (CID 167759982) is N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide.
What is the SMILES notation for N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The canonical SMILES for N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide is CC(=O)N(Cc1ccsc1)C1CC12CCN(CCOCC(F)(F)F)CC2.
What is the InChIKey of N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
The InChIKey is PWGXCWIYIJSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2S/c1-14(24)23(11-15-2-9-26-12-15)16-10-17(16)3-5-22(6-4-17)7-8-25-13-18(19,20)21/h2,9,12,16H,3-8,10-11,13H2,1H3.
What are the key properties of N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide?
N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide is sourced from PubChem (CID 167759982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).