N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C18H27F3N2OS — CID 60510595

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCC(C(F)(F)F)C1)c1ccsc1
InChIInChI=1S/C18H27F3N2OS/c1-3-23(4-2)16(14-8-9-25-12-14)11-22-17(24)13-6-5-7-15(10-13)18(19,20)21/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyFIGDHQMRHAVCHE-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.62
Rot. Bonds7

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 60510595) has the molecular formula C18H27F3N2OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID60510595
Molecular FormulaC18H27F3N2OS
Molecular Weight376.49 g/mol
Exact Mass376.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCC(C(F)(F)F)C1)c1ccsc1
InChIInChI=1S/C18H27F3N2OS/c1-3-23(4-2)16(14-8-9-25-12-14)11-22-17(24)13-6-5-7-15(10-13)18(19,20)21/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,22,24)
InChIKeyFIGDHQMRHAVCHE-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933262
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39209124
1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55660221
N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737763
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
CID 94023540

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 60510595) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCN(CC)C(CNC(=O)C1CCCC(C(F)(F)F)C1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FIGDHQMRHAVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2OS/c1-3-23(4-2)16(14-8-9-25-12-14)11-22-17(24)13-6-5-7-15(10-13)18(19,20)21/h8-9,12-13,15-16H,3-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60510595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).