3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide

C15H22N2O4S — CID 110345478

IUPAC3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C15H22N2O4S/c1-12-4-3-5-14(10-12)15(18)16-6-9-22(19,20)17-7-8-21-13(2)11-17/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyQGSDDQXYFQOOJU-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.78
Rot. Bonds5

About 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide

3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide (PubChem CID 110345478) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
PubChem CID110345478
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C15H22N2O4S/c1-12-4-3-5-14(10-12)15(18)16-6-9-22(19,20)17-7-8-21-13(2)11-17/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyQGSDDQXYFQOOJU-UHFFFAOYSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide (CID 110345478) is 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide is Cc1cccc(C(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide?
The InChIKey is QGSDDQXYFQOOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-4-3-5-14(10-12)15(18)16-6-9-22(19,20)17-7-8-21-13(2)11-17/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide?
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide has a molecular weight of 326.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 110345478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).