5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one

C24H27NO4S — CID 54721715

IUPAC5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one
SMILESO=C1OC(CCN2CCOCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1
InChIInChI=1S/C24H27NO4S/c26-21-17-24(20-9-5-2-6-10-20,11-12-25-13-15-28-16-14-25)29-23(27)22(21)30-18-19-7-3-1-4-8-19/h1-10,26H,11-18H2
InChIKeyOCYGIGSEGJDGHY-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.25
Rot. Bonds7

About 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one

5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one (PubChem CID 54721715) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one.

Molecular Properties

Compound Name5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one
PubChem CID54721715
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC Name5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one
SMILESO=C1OC(CCN2CCOCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1
InChIInChI=1S/C24H27NO4S/c26-21-17-24(20-9-5-2-6-10-20,11-12-25-13-15-28-16-14-25)29-23(27)22(21)30-18-19-7-3-1-4-8-19/h1-10,26H,11-18H2
InChIKeyOCYGIGSEGJDGHY-UHFFFAOYSA-N
XLogP4.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzylsulfanyl-4-hydroxy-2-[2-(3-morpholin-4-ylphenyl)ethyl]-2-phenyl-3H-pyran-6-one
CID 54721672
4-hydroxy-2-phenyl-2-(2-phenylethyl)-5-thiophen-2-ylsulfanyl-3H-pyran-6-one
CID 54688112
4-(2-morpholin-4-ylethyl)-4-phenyl-1-oxaspiro[4.4]nonan-2-one
CID 13431360
methane;4-(2-phenylethyl)morpholine
CID 143698819
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
5-benzyl-4-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-6-one
CID 54721641
4-hydroxy-5-[(2-methylphenyl)methyl]-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54721609
4-hydroxy-3-[2-morpholin-4-ylethoxy(phenyl)methyl]-6-phenyl-6-(2-phenylethyl)-3-propan-2-yloxan-2-one
CID 67557428
3-(2-morpholin-4-ylethyl)-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 138400584
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
4-hydroxy-2,2-diphenyl-5-(2-phenylethyl)-3H-pyran-6-one
CID 54721778
1-[4-(2-morpholin-4-ylethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117440559

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one?
The IUPAC name of 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one (CID 54721715) is 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one.
What is the SMILES notation for 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one?
The canonical SMILES for 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one is O=C1OC(CCN2CCOCC2)(c2ccccc2)CC(O)=C1SCc1ccccc1.
What is the InChIKey of 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one?
The InChIKey is OCYGIGSEGJDGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S/c26-21-17-24(20-9-5-2-6-10-20,11-12-25-13-15-28-16-14-25)29-23(27)22(21)30-18-19-7-3-1-4-8-19/h1-10,26H,11-18H2.
What are the key properties of 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one?
5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one has a molecular weight of 425.55 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-4-hydroxy-2-(2-morpholin-4-ylethyl)-2-phenyl-3H-pyran-6-one is sourced from PubChem (CID 54721715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).