2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

C17H24N2O6S — CID 90592548

IUPAC2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C17H24N2O6S/c1-18-15(20)11-26(22,23)12-7-9-19(10-8-12)17(21)16-13(24-2)5-4-6-14(16)25-3/h4-6,12H,7-11H2,1-3H3,(H,18,20)
InChIKeyFQAKWIQJCBLPAT-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.47
Rot. Bonds6

About 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592548) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592548
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1
InChIInChI=1S/C17H24N2O6S/c1-18-15(20)11-26(22,23)12-7-9-19(10-8-12)17(21)16-13(24-2)5-4-6-14(16)25-3/h4-6,12H,7-11H2,1-3H3,(H,18,20)
InChIKeyFQAKWIQJCBLPAT-UHFFFAOYSA-N
XLogP0.47
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592529
(2,6-dimethoxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584599
N-methyl-2-[1-(pyridine-3-carbonyl)piperidin-4-yl]sulfonylacetamide
CID 90592506
2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592837
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592548) is 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2c(OC)cccc2OC)CC1.
What is the InChIKey of 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is FQAKWIQJCBLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-18-15(20)11-26(22,23)12-7-9-19(10-8-12)17(21)16-13(24-2)5-4-6-14(16)25-3/h4-6,12H,7-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 384.45 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).