N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide

C19H28N2O5S — CID 90592560

IUPACN-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O5S/c1-14(2)15-4-6-16(7-5-15)26-12-19(23)21-10-8-17(9-11-21)27(24,25)13-18(22)20-3/h4-7,14,17H,8-13H2,1-3H3,(H,20,22)
InChIKeyJREKTBUKVKEOOI-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.34
Rot. Bonds7

About N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide (PubChem CID 90592560) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
PubChem CID90592560
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H28N2O5S/c1-14(2)15-4-6-16(7-5-15)26-12-19(23)21-10-8-17(9-11-21)27(24,25)13-18(22)20-3/h4-7,14,17H,8-13H2,1-3H3,(H,20,22)
InChIKeyJREKTBUKVKEOOI-UHFFFAOYSA-N
XLogP1.34
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592562
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550
N-methyl-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592831
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
CID 49063748
2-[1-(4-butoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592559
2-[1-[4-(2-methoxyethoxy)benzoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592646
2-[1-(4-methoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592519
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592587
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119485990

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide (CID 90592560) is N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide?
The InChIKey is JREKTBUKVKEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-14(2)15-4-6-16(7-5-15)26-12-19(23)21-10-8-17(9-11-21)27(24,25)13-18(22)20-3/h4-7,14,17H,8-13H2,1-3H3,(H,20,22).
What are the key properties of N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide has a molecular weight of 396.51 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 90592560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).