2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide

C34H49N3O6S — CID 66703485

IUPAC2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C34H49N3O6S/c1-25-21-31(41-3)22-26(2)34(25)44(39,40)37-16-8-7-11-30(37)23-43-24-32(38)35-29-14-12-28(13-15-29)33(27-9-5-4-6-10-27)36-17-19-42-20-18-36/h4-6,9-10,21-22,28-30,33H,7-8,11-20,23-24H2,1-3H3,(H,35,38)
InChIKeyOQVYRZRHWNXTIK-UHFFFAOYSA-N
MW627.85 g/mol
LogP4.62
Rot. Bonds11

About 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide (PubChem CID 66703485) has the molecular formula C34H49N3O6S and a molecular weight of 627.85 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
PubChem CID66703485
Molecular FormulaC34H49N3O6S
Molecular Weight627.85 g/mol
Exact Mass627.33
IUPAC Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C34H49N3O6S/c1-25-21-31(41-3)22-26(2)34(25)44(39,40)37-16-8-7-11-30(37)23-43-24-32(38)35-29-14-12-28(13-15-29)33(27-9-5-4-6-10-27)36-17-19-42-20-18-36/h4-6,9-10,21-22,28-30,33H,7-8,11-20,23-24H2,1-3H3,(H,35,38)
InChIKeyOQVYRZRHWNXTIK-UHFFFAOYSA-N
XLogP4.62
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.85
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
CID 66703448
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]methyl]acetamide
CID 66702967
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)acetamide
CID 68630368
1-[4-[(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone
CID 66703204
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide
CID 66703124
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[1-(1-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 152751489
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 67454278
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 66755827
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239
N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 66702747
butyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetate
CID 90986622

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide (CID 66703485) is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide is COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The InChIKey is OQVYRZRHWNXTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N3O6S/c1-25-21-31(41-3)22-26(2)34(25)44(39,40)37-16-8-7-11-30(37)23-43-24-32(38)35-29-14-12-28(13-15-29)33(27-9-5-4-6-10-27)36-17-19-42-20-18-36/h4-6,9-10,21-22,28-30,33H,7-8,11-20,23-24H2,1-3H3,(H,35,38).
What are the key properties of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide has a molecular weight of 627.85 g/mol, XLogP of 4.62, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 66703485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).