[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

C17H24N2O6S — CID 3411875

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyJWPKQYPQPVGDHN-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.45
Rot. Bonds6

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (PubChem CID 3411875) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
PubChem CID3411875
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3
InChIKeyJWPKQYPQPVGDHN-UHFFFAOYSA-N
XLogP0.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate (CID 3411875) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is JWPKQYPQPVGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12-4-6-15(7-5-12)26(22,23)18-8-17(21)24-11-16(20)19-9-13(2)25-14(3)10-19/h4-7,13-14,18H,8-11H2,1-3H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 384.45 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3411875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).