2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

C24H26N2O6S — CID 4061850

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C24H26N2O6S/c1-16-6-8-19(33(29,30)26-10-4-3-5-11-26)14-21(16)25-23(27)15-31-18-7-9-20-17(2)12-24(28)32-22(20)13-18/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,25,27)
InChIKeyGFPWSZOXWGOALR-UHFFFAOYSA-N
MW470.55 g/mol
LogP3.60
Rot. Bonds6

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4061850) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4061850
Molecular FormulaC24H26N2O6S
Molecular Weight470.55 g/mol
Exact Mass470.15
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C24H26N2O6S/c1-16-6-8-19(33(29,30)26-10-4-3-5-11-26)14-21(16)25-23(27)15-31-18-7-9-20-17(2)12-24(28)32-22(20)13-18/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,25,27)
InChIKeyGFPWSZOXWGOALR-UHFFFAOYSA-N
XLogP3.60
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4673261
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16547871
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26639783
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504639
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(2,4-dimethylphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546036
(4-methyl-2-oxochromen-7-yl) 3-piperidin-1-ylsulfonylbenzoate
CID 2478012
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2946893
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894842

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 4061850) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is GFPWSZOXWGOALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-16-6-8-19(33(29,30)26-10-4-3-5-11-26)14-21(16)25-23(27)15-31-18-7-9-20-17(2)12-24(28)32-22(20)13-18/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 470.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4061850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).