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

C22H28N2O4S — CID 16546036

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-16-7-10-21(18(3)13-16)28-15-22(25)23-20-14-19(9-8-17(20)2)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)
InChIKeyPHAWFUKVVRJQMN-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.80
Rot. Bonds6

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

2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 16546036) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID16546036
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1
InChIInChI=1S/C22H28N2O4S/c1-16-7-10-21(18(3)13-16)28-15-22(25)23-20-14-19(9-8-17(20)2)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25)
InChIKeyPHAWFUKVVRJQMN-UHFFFAOYSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 16546036) is 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PHAWFUKVVRJQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16-7-10-21(18(3)13-16)28-15-22(25)23-20-14-19(9-8-17(20)2)29(26,27)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16546036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).