(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C19H25NO2S — CID 51593965

IUPAC(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC[C@@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1
InChIInChI=1S/C19H25NO2S/c1-3-18-17-8-12-23-19(17)7-9-20(18)14-15-5-4-6-16(13-15)22-11-10-21-2/h4-6,8,12-13,18H,3,7,9-11,14H2,1-2H3/t18-/m1/s1
InChIKeyMJHDXHCGSGLKMX-GOSISDBHSA-N
MW331.48 g/mol
LogP4.28
Rot. Bonds7

About (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 51593965) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID51593965
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC[C@@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1
InChIInChI=1S/C19H25NO2S/c1-3-18-17-8-12-23-19(17)7-9-20(18)14-15-5-4-6-16(13-15)22-11-10-21-2/h4-6,8,12-13,18H,3,7,9-11,14H2,1-2H3/t18-/m1/s1
InChIKeyMJHDXHCGSGLKMX-GOSISDBHSA-N
XLogP4.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 46967179
(4S)-5-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 51500181
4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
4-methyl-5-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16676298
2-[1-[[3-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848549
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47493448
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 146134856
N-[2-[(4R)-4-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)propanamide
CID 93170212

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 51593965) is (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC[C@@H]1c2ccsc2CCN1Cc1cccc(OCCOC)c1.
What is the InChIKey of (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is MJHDXHCGSGLKMX-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-3-18-17-8-12-23-19(17)7-9-20(18)14-15-5-4-6-16(13-15)22-11-10-21-2/h4-6,8,12-13,18H,3,7,9-11,14H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
(4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 331.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-5-[[3-(2-methoxyethoxy)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 51593965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).