N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

C16H24N2O4S — CID 108566788

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O4S/c1-12-4-5-15(13(2)10-12)23(20,21)17-14-6-8-18(9-7-14)16(19)11-22-3/h4-5,10,14,17H,6-9,11H2,1-3H3
InChIKeyAQCXAMGABNIQLK-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.22
Rot. Bonds5

About N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108566788) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108566788
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
SMILESCOCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C16H24N2O4S/c1-12-4-5-15(13(2)10-12)23(20,21)17-14-6-8-18(9-7-14)16(19)11-22-3/h4-5,10,14,17H,6-9,11H2,1-3H3
InChIKeyAQCXAMGABNIQLK-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566445
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 39659124
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108564771
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108565780
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246
4-chloro-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108564277
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide (CID 108566788) is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is COCC(=O)N1CCC(NS(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is AQCXAMGABNIQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-4-5-15(13(2)10-12)23(20,21)17-14-6-8-18(9-7-14)16(19)11-22-3/h4-5,10,14,17H,6-9,11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108566788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).