N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C17H12ClF3N2O3S — CID 54734505

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(O)c2sccc21
InChIInChI=1S/C17H12ClF3N2O3S/c1-2-23-11-5-6-27-14(11)13(24)12(16(23)26)15(25)22-10-4-3-8(18)7-9(10)17(19,20)21/h3-7,24H,2H2,1H3,(H,22,25)
InChIKeyQACWYSBJHSVJAE-UHFFFAOYSA-N
MW416.81 g/mol
LogP4.71
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734505) has the molecular formula C17H12ClF3N2O3S and a molecular weight of 416.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734505
Molecular FormulaC17H12ClF3N2O3S
Molecular Weight416.81 g/mol
Exact Mass416.02
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(O)c2sccc21
InChIInChI=1S/C17H12ClF3N2O3S/c1-2-23-11-5-6-27-14(11)13(24)12(16(23)26)15(25)22-10-4-3-8(18)7-9(10)17(19,20)21/h3-7,24H,2H2,1H3,(H,22,25)
InChIKeyQACWYSBJHSVJAE-UHFFFAOYSA-N
XLogP4.71
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.81
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734487
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486250
N-(2-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734493
N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734497
N-(2,4-difluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
CID 54734518
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317
N-(4-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734438
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174025
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734505) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(O)c2sccc21.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is QACWYSBJHSVJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O3S/c1-2-23-11-5-6-27-14(11)13(24)12(16(23)26)15(25)22-10-4-3-8(18)7-9(10)17(19,20)21/h3-7,24H,2H2,1H3,(H,22,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 416.81 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).