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

C35H51N3O5S — CID 68632976

IUPAC2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(C)CC2CCC(c3ccccc3)(N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C35H51N3O5S/c1-27-22-32(42-4)23-28(2)34(27)44(40,41)38-21-9-8-14-31(38)25-43-26-33(39)36(3)24-29-15-17-35(18-16-29,37-19-10-11-20-37)30-12-6-5-7-13-30/h5-7,12-13,22-23,29,31H,8-11,14-21,24-26H2,1-4H3
InChIKeyALCMKGYRFWJGKP-UHFFFAOYSA-N
MW625.88 g/mol
LogP5.51
Rot. Bonds11

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

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide (PubChem CID 68632976) has the molecular formula C35H51N3O5S and a molecular weight of 625.88 g/mol. Its IUPAC name is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
PubChem CID68632976
Molecular FormulaC35H51N3O5S
Molecular Weight625.88 g/mol
Exact Mass625.35
IUPAC Name2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(C)CC2CCC(c3ccccc3)(N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C35H51N3O5S/c1-27-22-32(42-4)23-28(2)34(27)44(40,41)38-21-9-8-14-31(38)25-43-26-33(39)36(3)24-29-15-17-35(18-16-29,37-19-10-11-20-37)30-12-6-5-7-13-30/h5-7,12-13,22-23,29,31H,8-11,14-21,24-26H2,1-4H3
InChIKeyALCMKGYRFWJGKP-UHFFFAOYSA-N
XLogP5.51
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.88
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]ethanone
CID 24771854
N-[[4-(dimethylamino)phenyl]methyl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-propan-2-ylacetamide
CID 67454704
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(2-phenylethyl)-4-pyrrolidin-1-ylcyclohexyl]methyl]propanamide
CID 90906766
butyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetate
CID 90986622
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 68782081
ethane;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-pyridin-3-yl-4-(2-pyrrolidin-1-ylethoxy)azepan-1-yl]ethanone
CID 143873746
N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 71165939
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
N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 78019142
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide (CID 68632976) is 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide is COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N(C)CC2CCC(c3ccccc3)(N3CCCC3)CC2)c(C)c1.
What is the InChIKey of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
The InChIKey is ALCMKGYRFWJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H51N3O5S/c1-27-22-32(42-4)23-28(2)34(27)44(40,41)38-21-9-8-14-31(38)25-43-26-33(39)36(3)24-29-15-17-35(18-16-29,37-19-10-11-20-37)30-12-6-5-7-13-30/h5-7,12-13,22-23,29,31H,8-11,14-21,24-26H2,1-4H3.
What are the key properties of 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide?
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide has a molecular weight of 625.88 g/mol, XLogP of 5.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 68632976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).