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

C26H33Cl2N3O5S — CID 67455259

IUPAC2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H33Cl2N3O5S/c27-23-5-3-6-24(28)26(23)37(33,34)31-11-2-1-4-22(31)18-36-19-25(32)29-16-20-7-9-21(10-8-20)17-30-12-14-35-15-13-30/h3,5-10,22H,1-2,4,11-19H2,(H,29,32)
InChIKeyDSVPMZACFSDGKR-UHFFFAOYSA-N
MW570.54 g/mol
LogP3.70
Rot. Bonds10

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

2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 67455259) has the molecular formula C26H33Cl2N3O5S and a molecular weight of 570.54 g/mol. Its IUPAC name is 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID67455259
Molecular FormulaC26H33Cl2N3O5S
Molecular Weight570.54 g/mol
Exact Mass569.15
IUPAC Name2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H33Cl2N3O5S/c27-23-5-3-6-24(28)26(23)37(33,34)31-11-2-1-4-22(31)18-36-19-25(32)29-16-20-7-9-21(10-8-20)17-30-12-14-35-15-13-30/h3,5-10,22H,1-2,4,11-19H2,(H,29,32)
InChIKeyDSVPMZACFSDGKR-UHFFFAOYSA-N
XLogP3.70
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 67456239
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]acetic acid
CID 59746470
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917458
(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 67454411
2-[[1-(3,4-dichlorophenyl)sulfonyl-2,3-dihydroindol-2-yl]methoxy]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24945332
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
(2S)-1-(benzenesulfonyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 30837274
2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 129385003
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 67455259) is 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(COCC1CCCCN1S(=O)(=O)c1c(Cl)cccc1Cl)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is DSVPMZACFSDGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33Cl2N3O5S/c27-23-5-3-6-24(28)26(23)37(33,34)31-11-2-1-4-22(31)18-36-19-25(32)29-16-20-7-9-21(10-8-20)17-30-12-14-35-15-13-30/h3,5-10,22H,1-2,4,11-19H2,(H,29,32).
What are the key properties of 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 570.54 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 67455259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).