N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C15H22N2O5S — CID 3197623

IUPACN-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1NC(C)=O
InChIInChI=1S/C15H22N2O5S/c1-11(18)16-12-9-15(14(22-3)10-13(12)21-2)23(19,20)17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyJDLLUMDTJJUSNT-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.84
Rot. Bonds5

About N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3197623) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID3197623
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1NC(C)=O
InChIInChI=1S/C15H22N2O5S/c1-11(18)16-12-9-15(14(22-3)10-13(12)21-2)23(19,20)17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyJDLLUMDTJJUSNT-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 3197623) is N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is COc1cc(OC)c(S(=O)(=O)N2CCCCC2)cc1NC(C)=O.
What is the InChIKey of N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is JDLLUMDTJJUSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(18)16-12-9-15(14(22-3)10-13(12)21-2)23(19,20)17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3197623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).