N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide

C16H24N2O4S — CID 94469385

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H24N2O4S/c1-4-23(20,21)11-16(19)17-14-7-5-6-8-15(14)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)/t12-,13+
InChIKeyDQCXRVVGRQJDDP-BETUJISGSA-N
MW340.45 g/mol
LogP1.67
Rot. Bonds5

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide (PubChem CID 94469385) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
PubChem CID94469385
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H24N2O4S/c1-4-23(20,21)11-16(19)17-14-7-5-6-8-15(14)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)/t12-,13+
InChIKeyDQCXRVVGRQJDDP-BETUJISGSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3,4,4-trimethylpentanamide
CID 86901306
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 97024246
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 122134228
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-methoxypropyl)urea
CID 51085655
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1-[(2-hydroxyphenyl)methyl]-1-methylurea
CID 94154697
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide (CID 94469385) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide?
The InChIKey is DQCXRVVGRQJDDP-BETUJISGSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-23(20,21)11-16(19)17-14-7-5-6-8-15(14)18-9-12(2)22-13(3)10-18/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)/t12-,13+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide has a molecular weight of 340.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 94469385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).