5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile

C22H20N2O2S — CID 88587777

IUPAC5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile
SMILESCC(c1ccc2ccccc2c1)c1c(C=O)sc(N2CCOCC2)c1C#N
InChIInChI=1S/C22H20N2O2S/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)21-19(13-23)22(27-20(21)14-25)24-8-10-26-11-9-24/h2-7,12,14-15H,8-11H2,1H3
InChIKeyYJPMLKPSRDSMCT-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.57
Rot. Bonds4

About 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile

5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile (PubChem CID 88587777) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile
PubChem CID88587777
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile
SMILESCC(c1ccc2ccccc2c1)c1c(C=O)sc(N2CCOCC2)c1C#N
InChIInChI=1S/C22H20N2O2S/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)21-19(13-23)22(27-20(21)14-25)24-8-10-26-11-9-24/h2-7,12,14-15H,8-11H2,1H3
InChIKeyYJPMLKPSRDSMCT-UHFFFAOYSA-N
XLogP4.57
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile?
The IUPAC name of 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile (CID 88587777) is 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile?
The canonical SMILES for 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile is CC(c1ccc2ccccc2c1)c1c(C=O)sc(N2CCOCC2)c1C#N.
What is the InChIKey of 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile?
The InChIKey is YJPMLKPSRDSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15(17-7-6-16-4-2-3-5-18(16)12-17)21-19(13-23)22(27-20(21)14-25)24-8-10-26-11-9-24/h2-7,12,14-15H,8-11H2,1H3.
What are the key properties of 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile?
5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile has a molecular weight of 376.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-morpholin-4-yl-4-(1-naphthalen-2-ylethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 88587777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).