6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

C18H17NO3S — CID 51318737

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCc4sccc4C3)c(C)c2c1
InChIInChI=1S/C18H17NO3S/c1-11-14-9-13(21-2)3-4-15(14)22-17(11)18(20)19-7-5-16-12(10-19)6-8-23-16/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyRGICVTOKIYQHDM-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.01
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 51318737) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID51318737
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccc2oc(C(=O)N3CCc4sccc4C3)c(C)c2c1
InChIInChI=1S/C18H17NO3S/c1-11-14-9-13(21-2)3-4-15(14)22-17(11)18(20)19-7-5-16-12(10-19)6-8-23-16/h3-4,6,8-9H,5,7,10H2,1-2H3
InChIKeyRGICVTOKIYQHDM-UHFFFAOYSA-N
XLogP4.01
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-6-methoxyisochromen-1-one
CID 175651657
(2,4-dimethoxyphenyl)-[4-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 55904204
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70724076
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 9077758
(5-methoxy-3-methyl-1-benzofuran-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 86862268
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methoxyphenoxy)ethanone
CID 42470135
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 71928000
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968308
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
(5-methoxy-3-methyl-1-benzofuran-2-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 8502431
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 55389652

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone (CID 51318737) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is COc1ccc2oc(C(=O)N3CCc4sccc4C3)c(C)c2c1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is RGICVTOKIYQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-11-14-9-13(21-2)3-4-15(14)22-17(11)18(20)19-7-5-16-12(10-19)6-8-23-16/h3-4,6,8-9H,5,7,10H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 51318737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).