methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

C17H17NO4S — CID 90565269

IUPACmethyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO4S/c1-21-12-5-3-11(4-6-12)16(19)18-9-7-14-13(8-10-23-14)15(18)17(20)22-2/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyUARXZCGCDMXGIW-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.67
Rot. Bonds3

About methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate

methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (PubChem CID 90565269) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
PubChem CID90565269
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Namemethyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
SMILESCOC(=O)C1c2ccsc2CCN1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H17NO4S/c1-21-12-5-3-11(4-6-12)16(19)18-9-7-14-13(8-10-23-14)15(18)17(20)22-2/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyUARXZCGCDMXGIW-UHFFFAOYSA-N
XLogP2.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(4-fluorobenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565283
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
methyl 5-(6-oxopyran-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565388
methyl 5-(6-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565186
methyl 5-(2-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565267
(4-cyclohexyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methoxyphenyl)methanone
CID 101064485
methyl 5-(4-morpholin-4-ylsulfonylbenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565354
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 6976589
4-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 54043297
methyl 5-[2-(4-ethoxyphenoxy)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565326
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 6925905

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The IUPAC name of methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate (CID 90565269) is methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is COC(=O)C1c2ccsc2CCN1C(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
The InChIKey is UARXZCGCDMXGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-21-12-5-3-11(4-6-12)16(19)18-9-7-14-13(8-10-23-14)15(18)17(20)22-2/h3-6,8,10,15H,7,9H2,1-2H3.
What are the key properties of methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate?
methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate has a molecular weight of 331.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate is sourced from PubChem (CID 90565269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).