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

C16H10ClF3N2O3S — CID 54733556

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c2sccc21
InChIInChI=1S/C16H10ClF3N2O3S/c1-22-10-4-5-26-13(10)12(23)11(15(22)25)14(24)21-7-2-3-9(17)8(6-7)16(18,19)20/h2-6,23H,1H3,(H,21,24)
InChIKeyJSLBVWAQEKEIND-UHFFFAOYSA-N
MW402.78 g/mol
LogP4.23
Rot. Bonds2

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733556) has the molecular formula C16H10ClF3N2O3S and a molecular weight of 402.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733556
Molecular FormulaC16H10ClF3N2O3S
Molecular Weight402.78 g/mol
Exact Mass402.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c2sccc21
InChIInChI=1S/C16H10ClF3N2O3S/c1-22-10-4-5-26-13(10)12(23)11(15(22)25)14(24)21-7-2-3-9(17)8(6-7)16(18,19)20/h2-6,23H,1H3,(H,21,24)
InChIKeyJSLBVWAQEKEIND-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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Related Compounds

4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
N-(2-chloro-5-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733546
7-hydroxy-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733601
4-benzyl-N-[(3-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734555
4-Benzyl-N-[(2-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734558
4-Benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734559
4-benzyl-N-(sec-butyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734562
4-benzyl-7-hydroxy-5-oxo-N-pentylthieno[3,2-b]pyridine-6-carboxamide
CID 168273346
4-benzyl-7-hydroxy-5-oxo-N-propan-2-ylthieno[3,2-b]pyridine-6-carboxamide
CID 168279694
4-benzyl-7-hydroxy-N-(2-methylpropyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 168286466
4-benzyl-7-hydroxy-5-oxo-N-propylthieno[3,2-b]pyridine-6-carboxamide
CID 168292615

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733556) is N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is Cn1c(=O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(O)c2sccc21.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is JSLBVWAQEKEIND-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)21-7-2-3-9(17)8(6-7)16(18,19)20/h2-6,23H,1H3,(H,21,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).