N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide

C16H24N2O4S — CID 42959769

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-12-5-4-6-15(9-12)16(19)17-7-8-23(20,21)18-10-13(2)22-14(3)11-18/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyLREVTGQJEPQKRN-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide (PubChem CID 42959769) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
PubChem CID42959769
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C16H24N2O4S/c1-12-5-4-6-15(9-12)16(19)17-7-8-23(20,21)18-10-13(2)22-14(3)11-18/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeyLREVTGQJEPQKRN-UHFFFAOYSA-N
XLogP1.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345478
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 51119420
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 46523366

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide (CID 42959769) is N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCS(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide?
The InChIKey is LREVTGQJEPQKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-5-4-6-15(9-12)16(19)17-7-8-23(20,21)18-10-13(2)22-14(3)11-18/h4-6,9,13-14H,7-8,10-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide is sourced from PubChem (CID 42959769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).