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

C19H24N2O3S — CID 47493448

IUPAC4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)Nc1ccccc1OCCOC
InChIInChI=1S/C19H24N2O3S/c1-3-16-14-9-13-25-18(14)8-10-21(16)19(22)20-15-6-4-5-7-17(15)24-12-11-23-2/h4-7,9,13,16H,3,8,10-12H2,1-2H3,(H,20,22)
InChIKeyCJCCIBMFYIVGIV-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.31
Rot. Bonds6

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

4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47493448) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47493448
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCCC1c2ccsc2CCN1C(=O)Nc1ccccc1OCCOC
InChIInChI=1S/C19H24N2O3S/c1-3-16-14-9-13-25-18(14)8-10-21(16)19(22)20-15-6-4-5-7-17(15)24-12-11-23-2/h4-7,9,13,16H,3,8,10-12H2,1-2H3,(H,20,22)
InChIKeyCJCCIBMFYIVGIV-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxy)ethanone
CID 103606773
methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71898973
(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 38280106
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(4-bromo-3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46442107
4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 56583833
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 42886199
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47493448) is 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CCC1c2ccsc2CCN1C(=O)Nc1ccccc1OCCOC.
What is the InChIKey of 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is CJCCIBMFYIVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-16-14-9-13-25-18(14)8-10-21(16)19(22)20-15-6-4-5-7-17(15)24-12-11-23-2/h4-7,9,13,16H,3,8,10-12H2,1-2H3,(H,20,22).
What are the key properties of 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47493448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).