1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone

C23H24N4O3S — CID 142804320

IUPAC1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone
SMILESC=C=S(=O)(NCC1CN(c2ncc(C(C)=O)cn2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O3S/c1-3-31(29,22-9-8-18-6-4-5-7-19(18)12-22)26-15-21-16-27(10-11-30-21)23-24-13-20(14-25-23)17(2)28/h4-9,12-14,21H,1,10-11,15-16H2,2H3,(H,26,29)
InChIKeyWGTRAQJXFOPUOH-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone

1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone (PubChem CID 142804320) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone
PubChem CID142804320
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone
SMILESC=C=S(=O)(NCC1CN(c2ncc(C(C)=O)cn2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C23H24N4O3S/c1-3-31(29,22-9-8-18-6-4-5-7-19(18)12-22)26-15-21-16-27(10-11-30-21)23-24-13-20(14-25-23)17(2)28/h4-9,12-14,21H,1,10-11,15-16H2,2H3,(H,26,29)
InChIKeyWGTRAQJXFOPUOH-UHFFFAOYSA-N
XLogP2.47
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone (CID 142804320) is 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone is C=C=S(=O)(NCC1CN(c2ncc(C(C)=O)cn2)CCO1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone?
The InChIKey is WGTRAQJXFOPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-3-31(29,22-9-8-18-6-4-5-7-19(18)12-22)26-15-21-16-27(10-11-30-21)23-24-13-20(14-25-23)17(2)28/h4-9,12-14,21H,1,10-11,15-16H2,2H3,(H,26,29).
What are the key properties of 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone?
1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone has a molecular weight of 436.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 142804320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).