5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide

C15H22N2O5S — CID 6471850

IUPAC5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1OC
InChIInChI=1S/C15H22N2O5S/c1-10-8-17(9-11(2)22-10)23(19,20)12-5-6-14(21-4)13(7-12)15(18)16-3/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyOXHDAGPIXXFECS-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.85
Rot. Bonds4

About 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide

5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide (PubChem CID 6471850) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide
PubChem CID6471850
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1OC
InChIInChI=1S/C15H22N2O5S/c1-10-8-17(9-11(2)22-10)23(19,20)12-5-6-14(21-4)13(7-12)15(18)16-3/h5-7,10-11H,8-9H2,1-4H3,(H,16,18)
InChIKeyOXHDAGPIXXFECS-UHFFFAOYSA-N
XLogP0.85
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
CID 2361227
5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
CID 154907802
(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-iodobenzoic acid
CID 103962174
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 55318389
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55580765

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide (CID 6471850) is 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(S(=O)(=O)N2CC(C)OC(C)C2)ccc1OC.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide?
The InChIKey is OXHDAGPIXXFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-10-8-17(9-11(2)22-10)23(19,20)12-5-6-14(21-4)13(7-12)15(18)16-3/h5-7,10-11H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide?
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 6471850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).