N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide

C15H22N2O4S — CID 100814362

IUPACN-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H22N2O4S/c1-12-5-3-4-10-17(12)22(19,20)14-8-6-13(7-9-14)21-11-15(18)16-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyZHFXMPAZSPXAEU-LBPRGKRZSA-N
MW326.42 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide

N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 100814362) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID100814362
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C15H22N2O4S/c1-12-5-3-4-10-17(12)22(19,20)14-8-6-13(7-9-14)21-11-15(18)16-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyZHFXMPAZSPXAEU-LBPRGKRZSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-ethoxyphenyl)sulfonyl-2-methylpiperidine
CID 847002
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
CID 51571149
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate
CID 46793806
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881608
2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 27012752
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5169215
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881646
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide (CID 100814362) is N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide is CNC(=O)COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is ZHFXMPAZSPXAEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12-5-3-4-10-17(12)22(19,20)14-8-6-13(7-9-14)21-11-15(18)16-2/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 100814362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).