N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C22H19FN2O3S — CID 42654785

IUPACN-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC(=O)Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1
InChIInChI=1S/C22H19FN2O3S/c1-12-19-15(13-7-9-14(28-2)10-8-13)11-18(26)25-22(19)29-20(12)21(27)24-17-6-4-3-5-16(17)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYIVCXUBZXPKWBP-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.93
Rot. Bonds4

About N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 42654785) has the molecular formula C22H19FN2O3S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID42654785
Molecular FormulaC22H19FN2O3S
Molecular Weight410.47 g/mol
Exact Mass410.11
IUPAC NameN-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC(=O)Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1
InChIInChI=1S/C22H19FN2O3S/c1-12-19-15(13-7-9-14(28-2)10-8-13)11-18(26)25-22(19)29-20(12)21(27)24-17-6-4-3-5-16(17)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyYIVCXUBZXPKWBP-UHFFFAOYSA-N
XLogP4.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 42654785) is N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(C2CC(=O)Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YIVCXUBZXPKWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3S/c1-12-19-15(13-7-9-14(28-2)10-8-13)11-18(26)25-22(19)29-20(12)21(27)24-17-6-4-3-5-16(17)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 42654785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).