formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine

C24H27NO6S — CID 172911293

IUPACformic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
SMILESCS(=O)(=O)c1cccc(-c2ccc3cc(OCCN4CCOCC4)ccc3c2)c1.O=CO
InChIInChI=1S/C23H25NO4S.CH2O2/c1-29(25,26)23-4-2-3-18(17-23)19-5-6-21-16-22(8-7-20(21)15-19)28-14-11-24-9-12-27-13-10-24;2-1-3/h2-8,15-17H,9-14H2,1H3;1H,(H,2,3)
InChIKeyFNEYWEXKTXWQTM-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.32
Rot. Bonds6

About formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine

formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine (PubChem CID 172911293) has the molecular formula C24H27NO6S and a molecular weight of 457.55 g/mol. Its IUPAC name is formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Nameformic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
PubChem CID172911293
Molecular FormulaC24H27NO6S
Molecular Weight457.55 g/mol
Exact Mass457.16
IUPAC Nameformic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
SMILESCS(=O)(=O)c1cccc(-c2ccc3cc(OCCN4CCOCC4)ccc3c2)c1.O=CO
InChIInChI=1S/C23H25NO4S.CH2O2/c1-29(25,26)23-4-2-3-18(17-23)19-5-6-21-16-22(8-7-20(21)15-19)28-14-11-24-9-12-27-13-10-24;2-1-3/h2-8,15-17H,9-14H2,1H3;1H,(H,2,3)
InChIKeyFNEYWEXKTXWQTM-UHFFFAOYSA-N
XLogP3.32
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[3-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]morpholine
CID 59632765
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-(3-methylsulfonyl-5-nitrophenoxy)ethyl]morpholine
CID 90002077
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
(NE)-N-[1-[3-(2-morpholin-4-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 43186630
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270

Frequently Asked Questions

What is the IUPAC name of formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine?
The IUPAC name of formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine (CID 172911293) is formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine.
What is the SMILES notation for formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine?
The canonical SMILES for formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine is CS(=O)(=O)c1cccc(-c2ccc3cc(OCCN4CCOCC4)ccc3c2)c1.O=CO.
What is the InChIKey of formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine?
The InChIKey is FNEYWEXKTXWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S.CH2O2/c1-29(25,26)23-4-2-3-18(17-23)19-5-6-21-16-22(8-7-20(21)15-19)28-14-11-24-9-12-27-13-10-24;2-1-3/h2-8,15-17H,9-14H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine?
formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine has a molecular weight of 457.55 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 172911293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).