2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C18H22N2O2S — CID 7495269

IUPAC2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOCCNCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-22-11-9-19-13-17(21)20-10-7-16-15(8-12-23-16)18(20)14-5-3-2-4-6-14/h2-6,8,12,18-19H,7,9-11,13H2,1H3/t18-/m0/s1
InChIKeyKVOHJMKIZWNOMM-SFHVURJKSA-N
MW330.45 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 7495269) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID7495269
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCOCCNCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-22-11-9-19-13-17(21)20-10-7-16-15(8-12-23-16)18(20)14-5-3-2-4-6-14/h2-6,8,12,18-19H,7,9-11,13H2,1H3/t18-/m0/s1
InChIKeyKVOHJMKIZWNOMM-SFHVURJKSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.46
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

2-(3-ethoxypropylamino)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42773661
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(3-methoxypropylamino)ethanone
CID 3390312
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 7396506
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091
2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088
1-[4-(4-tert-butylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 3430392
N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopropanecarboxamide
CID 4040652
1-(3-methoxypropyl)-3,3-dimethyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
CID 5215768

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 7495269) is 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is COCCNCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is KVOHJMKIZWNOMM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-11-9-19-13-17(21)20-10-7-16-15(8-12-23-16)18(20)14-5-3-2-4-6-14/h2-6,8,12,18-19H,7,9-11,13H2,1H3/t18-/m0/s1.
What are the key properties of 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 330.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 7495269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).