(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate

C15H19NO7S — CID 16568664

IUPAC(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCOC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19NO7S/c1-11-3-4-12(15(18)23-10-14(17)21-2)9-13(11)24(19,20)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGGZTXWAIXIAWAO-UHFFFAOYSA-N
MW357.38 g/mol
LogP0.35
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate

(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 16568664) has the molecular formula C15H19NO7S and a molecular weight of 357.38 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
PubChem CID16568664
Molecular FormulaC15H19NO7S
Molecular Weight357.38 g/mol
Exact Mass357.09
IUPAC Name(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
SMILESCOC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H19NO7S/c1-11-3-4-12(15(18)23-10-14(17)21-2)9-13(11)24(19,20)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyGGZTXWAIXIAWAO-UHFFFAOYSA-N
XLogP0.35
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316003
1-O-methyl 4-O-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 41447276
(1-methoxy-1-oxopropan-2-yl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16568784
[2-(cyclohexylmethylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528945
[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528946
(2-methoxy-2-oxoethyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 16568663
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528861
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 43023467
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3421483
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316004
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 7825374
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316026

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate (CID 16568664) is (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate is COC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is GGZTXWAIXIAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7S/c1-11-3-4-12(15(18)23-10-14(17)21-2)9-13(11)24(19,20)16-5-7-22-8-6-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate?
(2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 357.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 4-methyl-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 16568664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).