2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one

C29H25NO3S — CID 51002094

IUPAC2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
SMILESO=C1C(c2csc3ccccc23)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C29H25NO3S/c31-29-24-18-21(33-17-14-30-12-15-32-16-13-30)10-11-23(24)27(20-6-2-1-3-7-20)28(29)25-19-34-26-9-5-4-8-22(25)26/h1-11,18-19H,12-17H2
InChIKeyZUGOVZYKZSFDPP-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.77
Rot. Bonds6

About 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one

2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one (PubChem CID 51002094) has the molecular formula C29H25NO3S and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
PubChem CID51002094
Molecular FormulaC29H25NO3S
Molecular Weight467.59 g/mol
Exact Mass467.16
IUPAC Name2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
SMILESO=C1C(c2csc3ccccc23)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C29H25NO3S/c31-29-24-18-21(33-17-14-30-12-15-32-16-13-30)10-11-23(24)27(20-6-2-1-3-7-20)28(29)25-19-34-26-9-5-4-8-22(25)26/h1-11,18-19H,12-17H2
InChIKeyZUGOVZYKZSFDPP-UHFFFAOYSA-N
XLogP5.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188
ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
CID 141124358
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
2-methoxycarbonyl-N-methyl-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11524635
N-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11684115
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
1-methyl-3-(1-methylindol-3-yl)-4-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2,5-dione
CID 18403518

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one (CID 51002094) is 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one is O=C1C(c2csc3ccccc23)=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
The InChIKey is ZUGOVZYKZSFDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3S/c31-29-24-18-21(33-17-14-30-12-15-32-16-13-30)10-11-23(24)27(20-6-2-1-3-7-20)28(29)25-19-34-26-9-5-4-8-22(25)26/h1-11,18-19H,12-17H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one?
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one has a molecular weight of 467.59 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one is sourced from PubChem (CID 51002094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).