N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide

C15H22N2O3S — CID 62674347

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC1CCCNC1
InChIInChI=1S/C15H22N2O3S/c1-11-5-6-13(21(2,19)20)9-14(11)17-15(18)8-12-4-3-7-16-10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeySBDYHXMTEDWSFL-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds4

About N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide (PubChem CID 62674347) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
PubChem CID62674347
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC1CCCNC1
InChIInChI=1S/C15H22N2O3S/c1-11-5-6-13(21(2,19)20)9-14(11)17-15(18)8-12-4-3-7-16-10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeySBDYHXMTEDWSFL-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide
CID 119968504
N-[2-methyl-5-(piperidin-3-ylmethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119968503
4-cyclohexyl-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 33002263
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 79851670
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816
2-(1-aminocyclopentyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 64685014
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34194248
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide (CID 62674347) is N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC1CCCNC1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide?
The InChIKey is SBDYHXMTEDWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-5-6-13(21(2,19)20)9-14(11)17-15(18)8-12-4-3-7-16-10-12/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide has a molecular weight of 310.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62674347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).