1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone

C18H20N2O6S — CID 4849455

IUPAC1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C18H20N2O6S/c1-13(21)16-5-3-14(24-2)11-17(16)26-18-6-4-15(12-19-18)27(22,23)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPBXCJXRAZIGCAB-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.11
Rot. Bonds6

About 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone

1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone (PubChem CID 4849455) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
PubChem CID4849455
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1
InChIInChI=1S/C18H20N2O6S/c1-13(21)16-5-3-14(24-2)11-17(16)26-18-6-4-15(12-19-18)27(22,23)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyPBXCJXRAZIGCAB-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone with MolForge

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Related Compounds

methyl 2-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]acetate
CID 18095375
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 18199953
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
methyl 2-ethoxy-4-morpholin-4-ylsulfonylbenzoate
CID 68873927
1-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 9331575
2-(4-methoxyphenyl)sulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24613666
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-(3-methoxy-4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598602
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone (CID 4849455) is 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone is COc1ccc(C(C)=O)c(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1.
What is the InChIKey of 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is PBXCJXRAZIGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-13(21)16-5-3-14(24-2)11-17(16)26-18-6-4-15(12-19-18)27(22,23)20-7-9-25-10-8-20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone?
1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 392.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 4849455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).