(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate

C17H22N2O6S — CID 7397934

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H22N2O6S/c1-14-2-4-15(5-3-14)6-11-26(22,23)18-12-17(21)25-13-16(20)19-7-9-24-10-8-19/h2-6,11,18H,7-10,12-13H2,1H3/b11-6+
InChIKeyXHVSRRJLAMRGPF-IZZDOVSWSA-N
MW382.44 g/mol
LogP0.29
Rot. Bonds7

About (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate

(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate (PubChem CID 7397934) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
PubChem CID7397934
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
SMILESCc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H22N2O6S/c1-14-2-4-15(5-3-14)6-11-26(22,23)18-12-17(21)25-13-16(20)19-7-9-24-10-8-19/h2-6,11,18H,7-10,12-13H2,1H3/b11-6+
InChIKeyXHVSRRJLAMRGPF-IZZDOVSWSA-N
XLogP0.29
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate (CID 7397934) is (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate is Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
The InChIKey is XHVSRRJLAMRGPF-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H22N2O6S/c1-14-2-4-15(5-3-14)6-11-26(22,23)18-12-17(21)25-13-16(20)19-7-9-24-10-8-19/h2-6,11,18H,7-10,12-13H2,1H3/b11-6+.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate?
(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate has a molecular weight of 382.44 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate is sourced from PubChem (CID 7397934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).