N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide

C21H22N4O4S — CID 90560100

IUPACN-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15(26)23-16-6-8-18(9-7-16)30(27,28)25-12-10-17(11-13-25)29-21-14-22-19-4-2-3-5-20(19)24-21/h2-9,14,17H,10-13H2,1H3,(H,23,26)
InChIKeyWUVQRKSPLOVVIN-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide

N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 90560100) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID90560100
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15(26)23-16-6-8-18(9-7-16)30(27,28)25-12-10-17(11-13-25)29-21-14-22-19-4-2-3-5-20(19)24-21/h2-9,14,17H,10-13H2,1H3,(H,23,26)
InChIKeyWUVQRKSPLOVVIN-UHFFFAOYSA-N
XLogP2.82
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560120
N-[4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]acetamide
CID 71799623
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109
N-(4-ethoxyphenyl)-4-quinoxalin-2-yloxypiperidine-1-carboxamide
CID 90560057
N-[4-[4-(pyridin-2-ylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 167788841
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-(4-quinoxalin-2-yloxyphenyl)acetamide
CID 1473207
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide (CID 90560100) is N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is WUVQRKSPLOVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15(26)23-16-6-8-18(9-7-16)30(27,28)25-12-10-17(11-13-25)29-21-14-22-19-4-2-3-5-20(19)24-21/h2-9,14,17H,10-13H2,1H3,(H,23,26).
What are the key properties of N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-quinoxalin-2-yloxypiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 90560100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).