N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide

C19H25N3O4S — CID 51942956

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2cccc3cccnc23)C[C@@H](C)O1
InChIInChI=1S/C19H25N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)10-9-20-18(23)11-17-6-3-5-16-7-4-8-21-19(16)17/h3-8,14-15H,9-13H2,1-2H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyXAFBWIIPSUHJNJ-HUUCEWRRSA-N
MW391.49 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide (PubChem CID 51942956) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
PubChem CID51942956
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide
SMILESC[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2cccc3cccnc23)C[C@@H](C)O1
InChIInChI=1S/C19H25N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)10-9-20-18(23)11-17-6-3-5-16-7-4-8-21-19(16)17/h3-8,14-15H,9-13H2,1-2H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyXAFBWIIPSUHJNJ-HUUCEWRRSA-N
XLogP1.33
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butyl]-2-quinolin-8-ylacetamide
CID 95974785
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51947693
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 47030090
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 51941811
(2S,6R)-2-ethyl-6-methyl-N-(quinolin-8-ylmethyl)morpholine-4-carboxamide
CID 97096798
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
CID 46433394
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide (CID 51942956) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide is C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2cccc3cccnc23)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide?
The InChIKey is XAFBWIIPSUHJNJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)10-9-20-18(23)11-17-6-3-5-16-7-4-8-21-19(16)17/h3-8,14-15H,9-13H2,1-2H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide has a molecular weight of 391.49 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51942956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).