2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone

C27H37N3O6S2 — CID 110829775

IUPAC2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2)C1
InChIInChI=1S/C27H37N3O6S2/c1-19-12-20(2)16-29(15-19)38(34,35)26-7-5-6-23(13-26)27(31)14-28-24-8-10-25(11-9-24)37(32,33)30-17-21(3)36-22(4)18-30/h5-11,13,19-22,28H,12,14-18H2,1-4H3
InChIKeyOZLAAKYLJOPMOT-UHFFFAOYSA-N
MW563.74 g/mol
LogP3.45
Rot. Bonds8

About 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone

2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 110829775) has the molecular formula C27H37N3O6S2 and a molecular weight of 563.74 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
PubChem CID110829775
Molecular FormulaC27H37N3O6S2
Molecular Weight563.74 g/mol
Exact Mass563.21
IUPAC Name2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
SMILESCC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2)C1
InChIInChI=1S/C27H37N3O6S2/c1-19-12-20(2)16-29(15-19)38(34,35)26-7-5-6-23(13-26)27(31)14-28-24-8-10-25(11-9-24)37(32,33)30-17-21(3)36-22(4)18-30/h5-11,13,19-22,28H,12,14-18H2,1-4H3
InChIKeyOZLAAKYLJOPMOT-UHFFFAOYSA-N
XLogP3.45
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone with MolForge

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829776
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110829801
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
CID 110825143
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(4-ethoxyanilino)ethanone
CID 110824865
2-[4-(difluoromethylsulfanyl)anilino]-1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone
CID 110829697
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(3-methylanilino)ethanone
CID 110824862
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829385
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(2-fluoroanilino)ethanone
CID 110824881
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-(2-nitroanilino)ethanone
CID 110824871
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethanone
CID 110829647
methyl 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]acetate
CID 129488504

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone (CID 110829775) is 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone is CC1CC(C)CN(S(=O)(=O)c2cccc(C(=O)CNc3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)c2)C1.
What is the InChIKey of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is OZLAAKYLJOPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O6S2/c1-19-12-20(2)16-29(15-19)38(34,35)26-7-5-6-23(13-26)27(31)14-28-24-8-10-25(11-9-24)37(32,33)30-17-21(3)36-22(4)18-30/h5-11,13,19-22,28H,12,14-18H2,1-4H3.
What are the key properties of 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone?
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 563.74 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 110829775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).