N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide

C14H19F3N2OS — CID 124572800

IUPACN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11-/m1/s1
InChIKeyWIUWCMULQFKAKY-GHMZBOCLSA-N
MW320.38 g/mol
LogP3.19
Rot. Bonds5

About N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide

N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 124572800) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID124572800
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC NameN-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11-/m1/s1
InChIKeyWIUWCMULQFKAKY-GHMZBOCLSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658665
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119621058
N-[3-[2-(cycloheptylamino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119621057
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
N-cyclohexyl-4-[2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46381865
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide (CID 124572800) is N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide is O=C(NCCN[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1.
What is the InChIKey of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is WIUWCMULQFKAKY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c15-14(16,17)10-3-1-4-11(9-10)18-6-7-19-13(20)12-5-2-8-21-12/h2,5,8,10-11,18H,1,3-4,6-7,9H2,(H,19,20)/t10-,11-/m1/s1.
What are the key properties of N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide?
N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 320.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 124572800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).