2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide

C35H51N3O6S — CID 66703124

IUPAC2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1
InChIInChI=1S/C35H51N3O6S/c1-26-22-32(42-3)23-27(2)35(26)45(40,41)38-17-7-10-31(24-38)44-25-34(39)36-30-14-12-29(13-15-30)33(37-18-20-43-21-19-37)16-11-28-8-5-4-6-9-28/h4-6,8-9,22-23,29-31,33H,7,10-21,24-25H2,1-3H3,(H,36,39)
InChIKeyDDPLZICMHUAVKM-UHFFFAOYSA-N
MW641.88 g/mol
LogP4.49
Rot. Bonds12

About 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide

2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide (PubChem CID 66703124) has the molecular formula C35H51N3O6S and a molecular weight of 641.88 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide
PubChem CID66703124
Molecular FormulaC35H51N3O6S
Molecular Weight641.88 g/mol
Exact Mass641.35
IUPAC Name2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1
InChIInChI=1S/C35H51N3O6S/c1-26-22-32(42-3)23-27(2)35(26)45(40,41)38-17-7-10-31(24-38)44-25-34(39)36-30-14-12-29(13-15-30)33(37-18-20-43-21-19-37)16-11-28-8-5-4-6-9-28/h4-6,8-9,22-23,29-31,33H,7,10-21,24-25H2,1-3H3,(H,36,39)
InChIKeyDDPLZICMHUAVKM-UHFFFAOYSA-N
XLogP4.49
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]oxy-N-[[4-(3-phenyl-1-pyrrolidin-1-ylpropyl)cyclohexyl]methyl]acetamide
CID 66702840
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-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
CID 66703448
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
CID 66703485
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]oxyacetamide
CID 66703212
2-[2-[methyl-(2,4,6-trichlorophenyl)sulfonylamino]ethoxy]-N-[4-(3-phenyl-1-piperidin-1-ylpropyl)cyclohexyl]acetamide
CID 66703418
N-[4-[[2-(dimethylamino)phenyl]methyl]cyclohexyl]-2-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-yl]oxyacetamide
CID 66703472
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)acetamide
CID 68630368
2-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-N-[[4-[1-(dimethylamino)-3-phenylpropyl]cyclohexyl]methyl]acetamide
CID 66702766
N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465241
1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 55130191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide?
The IUPAC name of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide (CID 66703124) is 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide is COc1cc(C)c(S(=O)(=O)N2CCCC(OCC(=O)NC3CCC(C(CCc4ccccc4)N4CCOCC4)CC3)C2)c(C)c1.
What is the InChIKey of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide?
The InChIKey is DDPLZICMHUAVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O6S/c1-26-22-32(42-3)23-27(2)35(26)45(40,41)38-17-7-10-31(24-38)44-25-34(39)36-30-14-12-29(13-15-30)33(37-18-20-43-21-19-37)16-11-28-8-5-4-6-9-28/h4-6,8-9,22-23,29-31,33H,7,10-21,24-25H2,1-3H3,(H,36,39).
What are the key properties of 2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide?
2-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide has a molecular weight of 641.88 g/mol, XLogP of 4.49, 12 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-3-yl]oxy-N-[4-(1-morpholin-4-yl-3-phenylpropyl)cyclohexyl]acetamide is sourced from PubChem (CID 66703124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).