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

C20H18F3N3O2S — CID 29074607

IUPACN-[(4S)-1-cyclopentyl-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(C2CCCC2)C1=O)c1cccs1
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)19(25-17(27)15-11-6-12-29-15)18(28)26(14-9-4-5-10-14)16(24-19)13-7-2-1-3-8-13/h1-3,6-8,11-12,14H,4-5,9-10H2,(H,25,27)/t19-/m1/s1
InChIKeyLZFKNUTYNSUEBY-LJQANCHMSA-N
MW421.44 g/mol
LogP3.97
Rot. Bonds4

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

N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide (PubChem CID 29074607) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
PubChem CID29074607
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC NameN-[(4S)-1-cyclopentyl-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(C2CCCC2)C1=O)c1cccs1
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)19(25-17(27)15-11-6-12-29-15)18(28)26(14-9-4-5-10-14)16(24-19)13-7-2-1-3-8-13/h1-3,6-8,11-12,14H,4-5,9-10H2,(H,25,27)/t19-/m1/s1
InChIKeyLZFKNUTYNSUEBY-LJQANCHMSA-N
XLogP3.97
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide
CID 51505877
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-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]-2,2-dimethylpropanamide
CID 16764273
N-[(4S)-1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]propanamide
CID 51506909
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-[(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
2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 84559514

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide (CID 29074607) is N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4S)-1-cyclopentyl-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(C2CCCC2)C1=O)c1cccs1.
What is the InChIKey of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
The InChIKey is LZFKNUTYNSUEBY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c21-20(22,23)19(25-17(27)15-11-6-12-29-15)18(28)26(14-9-4-5-10-14)16(24-19)13-7-2-1-3-8-13/h1-3,6-8,11-12,14H,4-5,9-10H2,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide?
N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 29074607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).