1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C20H17NOS — CID 2738361

IUPAC1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H17NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-10,14H,11-13H2
InChIKeyGLGNUFDYMKZUMM-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.83
Rot. Bonds2

About 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 2738361) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID2738361
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1csc2ccccc12)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H17NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-10,14H,11-13H2
InChIKeyGLGNUFDYMKZUMM-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 2738361) is 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1csc2ccccc12)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is GLGNUFDYMKZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c22-20(18-14-23-19-9-5-4-8-17(18)19)21-12-10-16(11-13-21)15-6-2-1-3-7-15/h1-10,14H,11-13H2.
What are the key properties of 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 2738361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).