2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H18FN3O5S — CID 2107143

IUPAC2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-27-16-7-5-15(6-8-16)23(2)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyYPBAVWFYZYAJAH-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2107143) has the molecular formula C19H18FN3O5S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2107143
Molecular FormulaC19H18FN3O5S
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)no1
InChIInChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-27-16-7-5-15(6-8-16)23(2)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyYPBAVWFYZYAJAH-UHFFFAOYSA-N
XLogP2.96
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylsulfonylphenoxy)acetamide
CID 51174485
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2335887
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 16533371
2-(4-fluorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 42989226
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
2-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7254489
N-(1H-indazol-6-yl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 2359068
N-(4-ethoxyphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247226
2-[(4-fluorophenyl)sulfonyl-propylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3650792
4-fluoro-N-methyl-N-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]phenyl]benzenesulfonamide
CID 2078108
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2107143) is 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(F)cc3)cc2)no1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YPBAVWFYZYAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-27-16-7-5-15(6-8-16)23(2)29(25,26)17-9-3-14(20)4-10-17/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 419.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2107143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).