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

C18H24N2O8S — CID 4843192

IUPAC(2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O8S/c1-25-15-3-2-14(12-16(15)29(23,24)20-6-10-27-11-7-20)18(22)28-13-17(21)19-4-8-26-9-5-19/h2-3,12H,4-11,13H2,1H3
InChIKeyMRDNWINESBGMRF-UHFFFAOYSA-N
MW428.46 g/mol
LogP-0.27
Rot. Bonds6

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

(2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 4843192) has the molecular formula C18H24N2O8S and a molecular weight of 428.46 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID4843192
Molecular FormulaC18H24N2O8S
Molecular Weight428.46 g/mol
Exact Mass428.13
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H24N2O8S/c1-25-15-3-2-14(12-16(15)29(23,24)20-6-10-27-11-7-20)18(22)28-13-17(21)19-4-8-26-9-5-19/h2-3,12H,4-11,13H2,1H3
InChIKeyMRDNWINESBGMRF-UHFFFAOYSA-N
XLogP-0.27
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 4843192) is (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)OCC(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is MRDNWINESBGMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O8S/c1-25-15-3-2-14(12-16(15)29(23,24)20-6-10-27-11-7-20)18(22)28-13-17(21)19-4-8-26-9-5-19/h2-3,12H,4-11,13H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
(2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 428.46 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 4843192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).