N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide

C16H24N2O4S — CID 97465851

IUPACN-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-12-5-4-8-18(10-12)23(20,21)14-6-7-15(13(2)9-14)22-11-16(19)17-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyBRROGGQYWUMHJS-GFCCVEGCSA-N
MW340.45 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide

N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide (PubChem CID 97465851) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
PubChem CID97465851
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide
SMILESCNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-12-5-4-8-18(10-12)23(20,21)14-6-7-15(13(2)9-14)22-11-16(19)17-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1
InChIKeyBRROGGQYWUMHJS-GFCCVEGCSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
N-methyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462750
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 3161694
N-(2-chlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126395278
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7393870
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235
N-(2,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126393916
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
N-(2,6-diethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126397479
N-[(2-chlorophenyl)methyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394275

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide (CID 97465851) is N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide is CNC(=O)COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C.
What is the InChIKey of N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is BRROGGQYWUMHJS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-5-4-8-18(10-12)23(20,21)14-6-7-15(13(2)9-14)22-11-16(19)17-3/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide?
N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 97465851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).