5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide

C15H14F3NO3S — CID 137345621

IUPAC5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)s1
InChIInChI=1S/C15H14F3NO3S/c1-8(2)19-14(21)13-6-5-12(23-13)10-7-9(3-4-11(10)20)22-15(16,17)18/h3-8,20H,1-2H3,(H,19,21)
InChIKeyOCAYGRDQFLJOCP-UHFFFAOYSA-N
MW345.34 g/mol
LogP4.16
Rot. Bonds4

About 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide

5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 137345621) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID137345621
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)s1
InChIInChI=1S/C15H14F3NO3S/c1-8(2)19-14(21)13-6-5-12(23-13)10-7-9(3-4-11(10)20)22-15(16,17)18/h3-8,20H,1-2H3,(H,19,21)
InChIKeyOCAYGRDQFLJOCP-UHFFFAOYSA-N
XLogP4.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
2-(2-aminopropyl)-4-(trifluoromethoxy)phenol
CID 170890931
5-bromo-N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55833327
methyl (2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171210160
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
N-(1-aminopropan-2-yl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 119582143
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842
N-propan-2-yl-2-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 115576057
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide (CID 137345621) is 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2O)s1.
What is the InChIKey of 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is OCAYGRDQFLJOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-8(2)19-14(21)13-6-5-12(23-13)10-7-9(3-4-11(10)20)22-15(16,17)18/h3-8,20H,1-2H3,(H,19,21).
What are the key properties of 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide?
5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 345.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-5-(trifluoromethoxy)phenyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 137345621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).