N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide

C21H20F3N3O2S — CID 51505877

IUPACN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C21H20F3N3O2S/c22-21(23,24)20(26-18(28)16-12-7-13-30-16)19(29)27(15-10-5-2-6-11-15)17(25-20)14-8-3-1-4-9-14/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H,26,28)/t20-/m1/s1
InChIKeyVRJGPLUMFYMBKA-HXUWFJFHSA-N
MW435.47 g/mol
LogP4.36
Rot. Bonds4

About N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide

N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide (PubChem CID 51505877) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
PubChem CID51505877
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC NameN-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
SMILESO=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccs1
InChIInChI=1S/C21H20F3N3O2S/c22-21(23,24)20(26-18(28)16-12-7-13-30-16)19(29)27(15-10-5-2-6-11-15)17(25-20)14-8-3-1-4-9-14/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H,26,28)/t20-/m1/s1
InChIKeyVRJGPLUMFYMBKA-HXUWFJFHSA-N
XLogP4.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 29074607
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 17344373
4-tert-butyl-N-[(4R)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51506286
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 29098749
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-3,4,5-trimethoxybenzamide
CID 17344467
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzenesulfonamide
CID 17087889
N-[(6R)-5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]thiophene-2-carboxamide
CID 7013534
N-[5-oxo-2-phenyl-1-prop-2-enyl-4-(trifluoromethyl)imidazol-4-yl]cyclopropanecarboxamide
CID 16764288
2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344609
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide (CID 51505877) is N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide is O=C(N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O)c1cccs1.
What is the InChIKey of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The InChIKey is VRJGPLUMFYMBKA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c22-21(23,24)20(26-18(28)16-12-7-13-30-16)19(29)27(15-10-5-2-6-11-15)17(25-20)14-8-3-1-4-9-14/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51505877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).