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

C33H47N3O6S — CID 66703448

IUPAC2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C33H47N3O6S/c1-24-20-30(40-3)21-25(2)33(24)43(38,39)36-15-7-10-29(36)22-42-23-31(37)34-28-13-11-27(12-14-28)32(26-8-5-4-6-9-26)35-16-18-41-19-17-35/h4-6,8-9,20-21,27-29,32H,7,10-19,22-23H2,1-3H3,(H,34,37)
InChIKeyCKYJDXWJAKLBPB-UHFFFAOYSA-N
MW613.82 g/mol
LogP4.23
Rot. Bonds11

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

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide (PubChem CID 66703448) has the molecular formula C33H47N3O6S and a molecular weight of 613.82 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
PubChem CID66703448
Molecular FormulaC33H47N3O6S
Molecular Weight613.82 g/mol
Exact Mass613.32
IUPAC Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C33H47N3O6S/c1-24-20-30(40-3)21-25(2)33(24)43(38,39)36-15-7-10-29(36)22-42-23-31(37)34-28-13-11-27(12-14-28)32(26-8-5-4-6-9-26)35-16-18-41-19-17-35/h4-6,8-9,20-21,27-29,32H,7,10-19,22-23H2,1-3H3,(H,34,37)
InChIKeyCKYJDXWJAKLBPB-UHFFFAOYSA-N
XLogP4.23
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide
CID 66703485
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
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)sulfonylpyrrolidin-2-yl]methoxy]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 67454278
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
N-[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]-2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 66702747
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 68782081
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-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 66755827

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide (CID 66703448) is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-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)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The canonical SMILES for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide is COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
The InChIKey is CKYJDXWJAKLBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N3O6S/c1-24-20-30(40-3)21-25(2)33(24)43(38,39)36-15-7-10-29(36)22-42-23-31(37)34-28-13-11-27(12-14-28)32(26-8-5-4-6-9-26)35-16-18-41-19-17-35/h4-6,8-9,20-21,27-29,32H,7,10-19,22-23H2,1-3H3,(H,34,37).
What are the key properties of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide?
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide has a molecular weight of 613.82 g/mol, XLogP of 4.23, 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)sulfonylpyrrolidin-2-yl]methoxy]-N-[4-[morpholin-4-yl(phenyl)methyl]cyclohexyl]acetamide is sourced from PubChem (CID 66703448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).