8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

C24H34F3N3O2S — CID 3910417

IUPAC8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC2(CC1)NC(C(=O)NCc1cccc(C(F)(F)F)c1)CS2
InChIInChI=1S/C24H34F3N3O2S/c1-3-5-8-18(4-2)22(32)30-12-10-23(11-13-30)29-20(16-33-23)21(31)28-15-17-7-6-9-19(14-17)24(25,26)27/h6-7,9,14,18,20,29H,3-5,8,10-13,15-16H2,1-2H3,(H,28,31)
InChIKeyLNJQPQVKYLANRV-UHFFFAOYSA-N
MW485.62 g/mol
LogP4.56
Rot. Bonds8

About 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 3910417) has the molecular formula C24H34F3N3O2S and a molecular weight of 485.62 g/mol. Its IUPAC name is 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID3910417
Molecular FormulaC24H34F3N3O2S
Molecular Weight485.62 g/mol
Exact Mass485.23
IUPAC Name8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCCC(CC)C(=O)N1CCC2(CC1)NC(C(=O)NCc1cccc(C(F)(F)F)c1)CS2
InChIInChI=1S/C24H34F3N3O2S/c1-3-5-8-18(4-2)22(32)30-12-10-23(11-13-30)29-20(16-33-23)21(31)28-15-17-7-6-9-19(14-17)24(25,26)27/h6-7,9,14,18,20,29H,3-5,8,10-13,15-16H2,1-2H3,(H,28,31)
InChIKeyLNJQPQVKYLANRV-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

3-N-(1,3-benzodioxol-5-ylmethyl)-8-N-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
CID 3356904
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
8-N-(3-bromophenyl)-3-N-(2-methylbutyl)-1-thia-4,8-diazaspiro[4.5]decane-3,8-dicarboxamide
CID 42775676
2-butyl-4-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119066017
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
6-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467432
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
8-(4-methylbenzoyl)-N-(2-phenylethyl)-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 4242323
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 3910417) is 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCCC(CC)C(=O)N1CCC2(CC1)NC(C(=O)NCc1cccc(C(F)(F)F)c1)CS2.
What is the InChIKey of 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is LNJQPQVKYLANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O2S/c1-3-5-8-18(4-2)22(32)30-12-10-23(11-13-30)29-20(16-33-23)21(31)28-15-17-7-6-9-19(14-17)24(25,26)27/h6-7,9,14,18,20,29H,3-5,8,10-13,15-16H2,1-2H3,(H,28,31).
What are the key properties of 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide?
8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 485.62 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylhexanoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 3910417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).