3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

C16H11F7N2O2S — CID 102110185

IUPAC3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1sccc1N1CCOCC1
InChIInChI=1S/C16H11F7N2O2S/c17-9-8(16(21,22)23)10(18)12(20)13(11(9)19)24-15(26)14-7(1-6-28-14)25-2-4-27-5-3-25/h1,6H,2-5H2,(H,24,26)
InChIKeyLNAZUUXSTVOENS-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.41
Rot. Bonds3

About 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide

3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 102110185) has the molecular formula C16H11F7N2O2S and a molecular weight of 428.33 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID102110185
Molecular FormulaC16H11F7N2O2S
Molecular Weight428.33 g/mol
Exact Mass428.04
IUPAC Name3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1sccc1N1CCOCC1
InChIInChI=1S/C16H11F7N2O2S/c17-9-8(16(21,22)23)10(18)12(20)13(11(9)19)24-15(26)14-7(1-6-28-14)25-2-4-27-5-3-25/h1,6H,2-5H2,(H,24,26)
InChIKeyLNAZUUXSTVOENS-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 142792123
4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135058197
N-(2-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 8001425
4-[2-[4-(trifluoromethyl)phenyl]thiophen-3-yl]morpholine
CID 174626997
N-(4-morpholin-4-ylphenyl)-3-phenylthiophene-2-carboxamide
CID 17444618
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
N-[2-[2-bromo-4-morpholin-4-yl-3-(trifluoromethyl)phenyl]-4-fluorophenyl]acetamide
CID 142776373
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18155737
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 102110185) is 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1sccc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is LNAZUUXSTVOENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N2O2S/c17-9-8(16(21,22)23)10(18)12(20)13(11(9)19)24-15(26)14-7(1-6-28-14)25-2-4-27-5-3-25/h1,6H,2-5H2,(H,24,26).
What are the key properties of 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 102110185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).