(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide

C17H20N2OS2 — CID 41361300

IUPAC(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@@H](C)N1CCc2sccc2C1
InChIInChI=1S/C17H20N2OS2/c1-12(19-9-7-15-13(11-19)8-10-22-15)17(20)18-14-5-3-4-6-16(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyZHTJZYSLNRVJKD-GFCCVEGCSA-N
MW332.49 g/mol
LogP3.86
Rot. Bonds4

About (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 41361300) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID41361300
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@@H](C)N1CCc2sccc2C1
InChIInChI=1S/C17H20N2OS2/c1-12(19-9-7-15-13(11-19)8-10-22-15)17(20)18-14-5-3-4-6-16(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyZHTJZYSLNRVJKD-GFCCVEGCSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 41367120
N-(2-bromo-4-methylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 51313786
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 38216091
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 41367549
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16599413
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 93235525
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methylsulfanylpropanamide
CID 43078160

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide (CID 41361300) is (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@@H](C)N1CCc2sccc2C1.
What is the InChIKey of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is ZHTJZYSLNRVJKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-12(19-9-7-15-13(11-19)8-10-22-15)17(20)18-14-5-3-4-6-16(14)21-2/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide?
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 332.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 41361300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).