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

C21H17FN2O2S — CID 39332257

IUPAC(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccccc1F)CC(=O)N2
InChIInChI=1S/C21H17FN2O2S/c1-12-18-15(14-9-5-6-10-16(14)22)11-17(25)24-21(18)27-19(12)20(26)23-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyMBDIECGZSRUWCM-HNNXBMFYSA-N
MW380.44 g/mol
LogP4.92
Rot. Bonds3

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

(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 39332257) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
PubChem CID39332257
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccccc1F)CC(=O)N2
InChIInChI=1S/C21H17FN2O2S/c1-12-18-15(14-9-5-6-10-16(14)22)11-17(25)24-21(18)27-19(12)20(26)23-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyMBDIECGZSRUWCM-HNNXBMFYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2-fluorophenyl)-N-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39313384
4-(2,6-difluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 42653416
(4R)-4-(2-fluorophenyl)-3-methyl-N-(2-methylphenyl)-6-oxo-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39332523
(4R)-3-methyl-6-oxo-N-phenyl-4-pyridin-4-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 39044796
(4R)-4-(3-hydroxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433593
(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
(4R)-3-methyl-6-oxo-N-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433725
(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-hydroxy-4-methoxyphenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
CID 26433719
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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 39332257) is (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccccc1F)CC(=O)N2.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MBDIECGZSRUWCM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-12-18-15(14-9-5-6-10-16(14)22)11-17(25)24-21(18)27-19(12)20(26)23-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3,(H,23,26)(H,24,25)/t15-/m0/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?
(4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-3-methyl-6-oxo-N-phenyl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 39332257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).