4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide

C19H30N2O6S — CID 55407992

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N2O6S/c1-15-13-21(14-16(2)27-15)28(23,24)18-7-5-17(6-8-18)19(22)20-9-4-10-26-12-11-25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyTZQISBDWHGHNII-UHFFFAOYSA-N
MW414.52 g/mol
LogP1.27
Rot. Bonds10

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide (PubChem CID 55407992) has the molecular formula C19H30N2O6S and a molecular weight of 414.52 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
PubChem CID55407992
Molecular FormulaC19H30N2O6S
Molecular Weight414.52 g/mol
Exact Mass414.18
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
SMILESCOCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H30N2O6S/c1-15-13-21(14-16(2)27-15)28(23,24)18-7-5-17(6-8-18)19(22)20-9-4-10-26-12-11-25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22)
InChIKeyTZQISBDWHGHNII-UHFFFAOYSA-N
XLogP1.27
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
2-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919107
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26268401
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407954
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51960164

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide (CID 55407992) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide is COCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
The InChIKey is TZQISBDWHGHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6S/c1-15-13-21(14-16(2)27-15)28(23,24)18-7-5-17(6-8-18)19(22)20-9-4-10-26-12-11-25-3/h5-8,15-16H,4,9-14H2,1-3H3,(H,20,22).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide has a molecular weight of 414.52 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide is sourced from PubChem (CID 55407992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).