2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide

C21H21N3O4S — CID 1266229

IUPAC2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-16-2-4-18(5-3-16)24-29(26,27)20-8-6-19(7-9-20)28-15-21(25)23-14-17-10-12-22-13-11-17/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyZNJAAESYXBFUAE-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.89
Rot. Bonds8

About 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide

2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 1266229) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID1266229
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-16-2-4-18(5-3-16)24-29(26,27)20-8-6-19(7-9-20)28-15-21(25)23-14-17-10-12-22-13-11-17/h2-13,24H,14-15H2,1H3,(H,23,25)
InChIKeyZNJAAESYXBFUAE-UHFFFAOYSA-N
XLogP2.89
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
Hexahydro quinoline derivative 1
CID 121325265
4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-ethylamino]-pyridinium
CID 448956
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
2-[4-(4-methylphenoxy)phenoxy]-N-pyridin-4-ylacetamide
CID 2318546
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
N-(4-(Pyridin-4-ylmethyl)phenyl)-2-(o-tolyloxy)acetamide
CID 776732
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide (CID 1266229) is 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZNJAAESYXBFUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-16-2-4-18(5-3-16)24-29(26,27)20-8-6-19(7-9-20)28-15-21(25)23-14-17-10-12-22-13-11-17/h2-13,24H,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide?
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 1266229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).