2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H21N3O5S — CID 2090295

IUPAC2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H21N3O5S/c1-3-23(16-7-5-4-6-8-16)29(25,26)18-11-9-17(10-12-18)27-14-20(24)21-19-13-15(2)28-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeyUYBPAVPOYSPUPZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2090295) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2090295
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C20H21N3O5S/c1-3-23(16-7-5-4-6-8-16)29(25,26)18-11-9-17(10-12-18)27-14-20(24)21-19-13-15(2)28-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24)
InChIKeyUYBPAVPOYSPUPZ-UHFFFAOYSA-N
XLogP3.22
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chloro-phenoxy)-N-[4-(5-methyl-isoxazol-3-ylsulfamoyl)-phenyl]-acetamide
CID 644805
2-(2-tert-butylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 993058
2-(2-chlorophenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1014099
2-(4-methoxyphenoxy)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide
CID 1015184
2-(2-isopropylphenoxy)-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)acetamide
CID 1015460
2-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate
CID 2098151
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2107925
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2116681
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2527610
N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-2-(4-methylphenoxy)propanamide
CID 2979403
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-2-o-tolyloxy-butyramide
CID 3161652
N-[4-(5-Methyl-isoxazol-3-ylsulfamoyl)-phenyl]-2-p-tolyloxy-butyramide
CID 3163982

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2090295) is 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UYBPAVPOYSPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-3-23(16-7-5-4-6-8-16)29(25,26)18-11-9-17(10-12-18)27-14-20(24)21-19-13-15(2)28-22-19/h4-13H,3,14H2,1-2H3,(H,21,22,24).
What are the key properties of 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2090295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).