methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate

C18H20N2O6S — CID 18095375

IUPACmethyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C18H20N2O6S/c1-24-18(21)12-14-2-4-15(5-3-14)26-17-7-6-16(13-19-17)27(22,23)20-8-10-25-11-9-20/h2-7,13H,8-12H2,1H3
InChIKeyXGUZOXWXRLMPQP-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.61
Rot. Bonds6

About methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate

methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate (PubChem CID 18095375) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
PubChem CID18095375
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namemethyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1
InChIInChI=1S/C18H20N2O6S/c1-24-18(21)12-14-2-4-15(5-3-14)26-17-7-6-16(13-19-17)27(22,23)20-8-10-25-11-9-20/h2-7,13H,8-12H2,1H3
InChIKeyXGUZOXWXRLMPQP-UHFFFAOYSA-N
XLogP1.61
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
CID 4849455
acetyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 21266112
methyl 3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanoate
CID 118538510
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701
methyl 6-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]hexanoate
CID 9107417
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 18199953

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate (CID 18095375) is methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate is COC(=O)Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1.
What is the InChIKey of methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate?
The InChIKey is XGUZOXWXRLMPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-18(21)12-14-2-4-15(5-3-14)26-17-7-6-16(13-19-17)27(22,23)20-8-10-25-11-9-20/h2-7,13H,8-12H2,1H3.
What are the key properties of methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate?
methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate has a molecular weight of 392.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate is sourced from PubChem (CID 18095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).