2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

C25H41N3O6S2 — CID 71166052

IUPAC2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOCCN(C(=O)COCC1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C)C1CCN(C)CC1
InChIInChI=1S/C25H41N3O6S2/c1-19-14-23(33-5)15-20(2)25(19)36(30,31)28-11-13-35-18-22(28)16-34-17-24(29)27(10-12-32-4)21-6-8-26(3)9-7-21/h14-15,21-22H,6-13,16-18H2,1-5H3
InChIKeyVACUAIKFIKZWLT-UHFFFAOYSA-N
MW543.75 g/mol
LogP2.00
Rot. Bonds11

About 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide

2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 71166052) has the molecular formula C25H41N3O6S2 and a molecular weight of 543.75 g/mol. Its IUPAC name is 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID71166052
Molecular FormulaC25H41N3O6S2
Molecular Weight543.75 g/mol
Exact Mass543.24
IUPAC Name2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOCCN(C(=O)COCC1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C)C1CCN(C)CC1
InChIInChI=1S/C25H41N3O6S2/c1-19-14-23(33-5)15-20(2)25(19)36(30,31)28-11-13-35-18-22(28)16-34-17-24(29)27(10-12-32-4)21-6-8-26(3)9-7-21/h14-15,21-22H,6-13,16-18H2,1-5H3
InChIKeyVACUAIKFIKZWLT-UHFFFAOYSA-N
XLogP2.00
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.75
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(dimethylamino)pyrrolidin-1-yl]-2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]ethanone
CID 143534584
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]ethanone
CID 143534351
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 71165980
N-[2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfinylthiomorpholin-3-yl]methoxy]ethyl]-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 143534492
ethyl 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-4-methylpiperazin-2-yl]methoxy]acetate
CID 71165982
N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 78019142
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfinylthiomorpholin-3-yl]methoxy]-N-methyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 143534476
methyl 4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholine-3-carboxylate
CID 68723865
2-[[(2S)-4,4-difluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 91169489
tert-butyl 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonyl-1,1-dioxo-1,4-thiazinan-3-yl]methoxy]acetate
CID 71057219
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
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-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide (CID 71166052) is 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is COCCN(C(=O)COCC1CSCCN1S(=O)(=O)c1c(C)cc(OC)cc1C)C1CCN(C)CC1.
What is the InChIKey of 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is VACUAIKFIKZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O6S2/c1-19-14-23(33-5)15-20(2)25(19)36(30,31)28-11-13-35-18-22(28)16-34-17-24(29)27(10-12-32-4)21-6-8-26(3)9-7-21/h14-15,21-22H,6-13,16-18H2,1-5H3.
What are the key properties of 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide?
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 543.75 g/mol, XLogP of 2.00, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 71166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).