2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile

C19H16N2OS — CID 46228214

IUPAC2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1sc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H16N2OS/c20-13-14-5-1-2-6-15(14)19-18(21-9-11-22-12-10-21)16-7-3-4-8-17(16)23-19/h1-8H,9-12H2
InChIKeyAHIMEEYJJAFNIL-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.28
Rot. Bonds2

About 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile

2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile (PubChem CID 46228214) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile
PubChem CID46228214
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile
SMILESN#Cc1ccccc1-c1sc2ccccc2c1N1CCOCC1
InChIInChI=1S/C19H16N2OS/c20-13-14-5-1-2-6-15(14)19-18(21-9-11-22-12-10-21)16-7-3-4-8-17(16)23-19/h1-8H,9-12H2
InChIKeyAHIMEEYJJAFNIL-UHFFFAOYSA-N
XLogP4.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994725
Morpholine, 4-benzo[b]thien-3-yl-
CID 12190199
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile
CID 146047142
2-(3-Piperidin-1-yl-1-benzothiophen-2-yl)benzonitrile
CID 46228204
4-Dibenzothiophen-2-ylmorpholine
CID 168269029
4-Morpholino-2-phenylbenzothiophene
CID 129797066
4-Morpholino-2-phenyldibenzothiophene
CID 129797074
3-(4-Methylpiperazino)-2-phenyl-benzo(b)thiophene
CID 15700642
4-[2-(4-Chlorophenyl)-1-benzothiophen-3-yl]morpholine
CID 16640365
1-Ethyl-4-(2-phenyl-1-benzothiophen-3-yl)piperazine
CID 21315886
4-[2-(3-Bromophenyl)-1-benzothiophen-3-yl]morpholine
CID 21315893

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile?
The IUPAC name of 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile (CID 46228214) is 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile.
What is the SMILES notation for 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile?
The canonical SMILES for 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile is N#Cc1ccccc1-c1sc2ccccc2c1N1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile?
The InChIKey is AHIMEEYJJAFNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c20-13-14-5-1-2-6-15(14)19-18(21-9-11-22-12-10-21)16-7-3-4-8-17(16)23-19/h1-8H,9-12H2.
What are the key properties of 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile?
2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile has a molecular weight of 320.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-1-benzothiophen-2-yl)benzonitrile is sourced from PubChem (CID 46228214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).