N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide

C15H22N2O4S — CID 112507547

IUPACN-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(C)OCC2(C)C)cc1
InChIInChI=1S/C15H22N2O4S/c1-11-9-17(15(3,4)10-21-11)22(19,20)14-7-5-13(6-8-14)16-12(2)18/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyLPSUCGAOXWQTCZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.83
Rot. Bonds3

About N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide

N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide (PubChem CID 112507547) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide
PubChem CID112507547
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(C)OCC2(C)C)cc1
InChIInChI=1S/C15H22N2O4S/c1-11-9-17(15(3,4)10-21-11)22(19,20)14-7-5-13(6-8-14)16-12(2)18/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKeyLPSUCGAOXWQTCZ-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5,5-trimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 110421938
1-[2-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]ethyl]pyrrolidin-2-one
CID 110624395
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 2836734
N-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352549
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
1-cyclohexyl-3-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]urea
CID 110352569
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide (CID 112507547) is N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(C)OCC2(C)C)cc1.
What is the InChIKey of N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
The InChIKey is LPSUCGAOXWQTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-9-17(15(3,4)10-21-11)22(19,20)14-7-5-13(6-8-14)16-12(2)18/h5-8,11H,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide?
N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5,5-trimethylmorpholin-4-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 112507547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).