N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

C19H21F3N2O2S — CID 160924154

IUPACN-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C19H21F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h5-6,9-10,12,25H,2-4,7-8,11H2,1H3/b23-17-
InChIKeyWVUFCAQZYGVSQB-QJOMJCCJSA-N
MW398.45 g/mol
LogP5.09
Rot. Bonds3

About N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (PubChem CID 160924154) has the molecular formula C19H21F3N2O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
PubChem CID160924154
Molecular FormulaC19H21F3N2O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC NameN-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C19H21F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h5-6,9-10,12,25H,2-4,7-8,11H2,1H3/b23-17-
InChIKeyWVUFCAQZYGVSQB-QJOMJCCJSA-N
XLogP5.09
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-1-methyl-4-(trifluoromethyl)quinolin-2-one
CID 68409241
N-(cyclopropylmethyl)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250314
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250315
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide;ethane
CID 145580529
3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158002779
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
CID 158152152
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158591151
3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 159190105
2-azabicyclo[2.2.2]octan-2-yl-[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]methanone
CID 160325664
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
CID 161056523
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-pyrrolidin-1-ylmethanone
CID 162198807
(5Z)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-methyl-2,6-dioxo-5-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 135649382

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (CID 160924154) is N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is CN(C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The InChIKey is WVUFCAQZYGVSQB-QJOMJCCJSA-N. The full InChI is InChI=1S/C19H21F3N2O2S/c1-24(12-7-3-2-4-8-12)18(26)16-15(25)11-27-17(16)23-14-10-6-5-9-13(14)19(20,21)22/h5-6,9-10,12,25H,2-4,7-8,11H2,1H3/b23-17-.
What are the key properties of N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is sourced from PubChem (CID 160924154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).