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

C16H10ClF3N2O3S — CID 54733546

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(O)c2sccc21
InChIInChI=1S/C16H10ClF3N2O3S/c1-22-10-4-5-26-13(10)12(23)11(15(22)25)14(24)21-9-6-7(16(18,19)20)2-3-8(9)17/h2-6,23H,1H3,(H,21,24)
InChIKeyNDUYEJPWCIXZRI-UHFFFAOYSA-N
MW402.78 g/mol
LogP4.23
Rot. Bonds2

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733546) has the molecular formula C16H10ClF3N2O3S and a molecular weight of 402.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733546
Molecular FormulaC16H10ClF3N2O3S
Molecular Weight402.78 g/mol
Exact Mass402.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(O)c2sccc21
InChIInChI=1S/C16H10ClF3N2O3S/c1-22-10-4-5-26-13(10)12(23)11(15(22)25)14(24)21-9-6-7(16(18,19)20)2-3-8(9)17/h2-6,23H,1H3,(H,21,24)
InChIKeyNDUYEJPWCIXZRI-UHFFFAOYSA-N
XLogP4.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.78
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733546) is N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is Cn1c(=O)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(O)c2sccc21.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is NDUYEJPWCIXZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O3S/c1-22-10-4-5-26-13(10)12(23)11(15(22)25)14(24)21-9-6-7(16(18,19)20)2-3-8(9)17/h2-6,23H,1H3,(H,21,24).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 402.78 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).