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

C22H19FN2O2S — CID 39332523

IUPAC(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2c(c1C)[C@@H](c1ccccc1F)CC(=O)N2
InChIInChI=1S/C22H19FN2O2S/c1-12-7-3-6-10-17(12)24-21(27)20-13(2)19-15(11-18(26)25-22(19)28-20)14-8-4-5-9-16(14)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyJZIDOLKDESPNNK-OAHLLOKOSA-N
MW394.47 g/mol
LogP5.23
Rot. Bonds3

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

(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39332523) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID39332523
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2c(c1C)[C@@H](c1ccccc1F)CC(=O)N2
InChIInChI=1S/C22H19FN2O2S/c1-12-7-3-6-10-17(12)24-21(27)20-13(2)19-15(11-18(26)25-22(19)28-20)14-8-4-5-9-16(14)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
InChIKeyJZIDOLKDESPNNK-OAHLLOKOSA-N
XLogP5.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(2,6-difluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39342665
(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39332257
(4R)-4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384
N-(2-fluorophenyl)-4-(4-methoxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42654785
(4R)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343003
(4S)-N-(2-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39343000
4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42653416
N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42655438
(4R)-N-(2-fluorophenyl)-3-methyl-6-oxo-4-pyridin-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39047019
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
(4S)-N-(4-fluorophenyl)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26434101
(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 39332523) is (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1sc2c(c1C)[C@@H](c1ccccc1F)CC(=O)N2.
What is the InChIKey of (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JZIDOLKDESPNNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-12-7-3-6-10-17(12)24-21(27)20-13(2)19-15(11-18(26)25-22(19)28-20)14-8-4-5-9-16(14)23/h3-10,15H,11H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1.
What are the key properties of (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 39332523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).