4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide

C20H24N2O4S — CID 55902295

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
SMILESCOCCOc1cccc(NC(=O)CCC(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H24N2O4S/c1-25-10-11-26-17-4-2-3-16(13-17)21-19(23)5-6-20(24)22-9-7-18-15(14-22)8-12-27-18/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,21,23)
InChIKeyGXWJBHXKUCDZSQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.08
Rot. Bonds8

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide (PubChem CID 55902295) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
PubChem CID55902295
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide
SMILESCOCCOc1cccc(NC(=O)CCC(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C20H24N2O4S/c1-25-10-11-26-17-4-2-3-16(13-17)21-19(23)5-6-20(24)22-9-7-18-15(14-22)8-12-27-18/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,21,23)
InChIKeyGXWJBHXKUCDZSQ-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 55883129
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 55872850
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55872616
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxyphenyl)acetamide
CID 18137878
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(3-methoxyphenyl)propan-1-one
CID 134051244
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 87026066
4-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55891202
N'-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]-4-hexoxybenzohydrazide
CID 55877866
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-methoxyethoxyamino)ethanone
CID 82722147

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide (CID 55902295) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide is COCCOc1cccc(NC(=O)CCC(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
The InChIKey is GXWJBHXKUCDZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-25-10-11-26-17-4-2-3-16(13-17)21-19(23)5-6-20(24)22-9-7-18-15(14-22)8-12-27-18/h2-4,8,12-13H,5-7,9-11,14H2,1H3,(H,21,23).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide has a molecular weight of 388.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[3-(2-methoxyethoxy)phenyl]-4-oxobutanamide is sourced from PubChem (CID 55902295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).