2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

C21H24N2O6S — CID 5195219

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O6S/c1-15-5-6-16(11-20(15)30(25,26)23-9-3-2-4-10-23)22-21(24)13-27-17-7-8-18-19(12-17)29-14-28-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,24)
InChIKeyAJQNHUDHJIZGNN-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.92
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 5195219) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID5195219
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24N2O6S/c1-15-5-6-16(11-20(15)30(25,26)23-9-3-2-4-10-23)22-21(24)13-27-17-7-8-18-19(12-17)29-14-28-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,24)
InChIKeyAJQNHUDHJIZGNN-UHFFFAOYSA-N
XLogP2.92
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
N,2,2-trimethyl-N-[4-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethoxy]phenyl]propanamide
CID 4047705
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 71904754
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 16522358
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 17310285
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 4876007
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693
[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 26984401

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 5195219) is 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is AJQNHUDHJIZGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-15-5-6-16(11-20(15)30(25,26)23-9-3-2-4-10-23)22-21(24)13-27-17-7-8-18-19(12-17)29-14-28-18/h5-8,11-12H,2-4,9-10,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 5195219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).