4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide

C17H20N2OS — CID 31315480

IUPAC4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
SMILESCC[C@@H]1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2OS/c1-2-15-14-8-10-21-16(14)7-9-19(15)11-12-3-5-13(6-4-12)17(18)20/h3-6,8,10,15H,2,7,9,11H2,1H3,(H2,18,20)/t15-/m1/s1
InChIKeyXYQYHMMLYHMMLX-OAHLLOKOSA-N
MW300.43 g/mol
LogP3.36
Rot. Bonds4

About 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide

4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide (PubChem CID 31315480) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
PubChem CID31315480
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
SMILESCC[C@@H]1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H20N2OS/c1-2-15-14-8-10-21-16(14)7-9-19(15)11-12-3-5-13(6-4-12)17(18)20/h3-6,8,10,15H,2,7,9,11H2,1H3,(H2,18,20)/t15-/m1/s1
InChIKeyXYQYHMMLYHMMLX-OAHLLOKOSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide with MolForge

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Related Compounds

4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 42884410
5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]benzene-1,3-dicarboxamide
CID 45355691
(4S)-4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500136
4-ethyl-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 171667594
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51593965
2-[4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phenyl]acetic acid
CID 105345909
ethyl 4-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-hydroxypropoxy]benzoate
CID 42923896
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide?
The IUPAC name of 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide (CID 31315480) is 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide?
The canonical SMILES for 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide is CC[C@@H]1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide?
The InChIKey is XYQYHMMLYHMMLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-15-14-8-10-21-16(14)7-9-19(15)11-12-3-5-13(6-4-12)17(18)20/h3-6,8,10,15H,2,7,9,11H2,1H3,(H2,18,20)/t15-/m1/s1.
What are the key properties of 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide?
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide has a molecular weight of 300.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide is sourced from PubChem (CID 31315480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).