2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide

C23H26N4O6S — CID 26362359

IUPAC2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)cc1
InChIInChI=1S/C23H26N4O6S/c1-15(28)17-9-11-18(12-10-17)32-14-22(29)24-13-21-16(2)33-23(25-21)19-7-5-6-8-20(19)26-34(30,31)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,24,29)
InChIKeyQYSUKKTUGUTSEL-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.77
Rot. Bonds10

About 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide

2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide (PubChem CID 26362359) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
PubChem CID26362359
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)cc1
InChIInChI=1S/C23H26N4O6S/c1-15(28)17-9-11-18(12-10-17)32-14-22(29)24-13-21-16(2)33-23(25-21)19-7-5-6-8-20(19)26-34(30,31)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,24,29)
InChIKeyQYSUKKTUGUTSEL-UHFFFAOYSA-N
XLogP2.77
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 26341266
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-[2-[5-methyl-4-[[(2-oxo-2-phenylacetyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]-3-phenoxypropanamide
CID 118758671
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
N-[[5-methyl-2-[2-(3-phenoxypropanoylamino)phenyl]-1,3-oxazol-4-yl]methyl]-2-phenylpropanamide
CID 45207389
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(4-acetylphenoxy)acetate
CID 16589131
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
CID 118754747

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide (CID 26362359) is 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide is CC(=O)c1ccc(OCC(=O)NCc2nc(-c3ccccc3NS(=O)(=O)N(C)C)oc2C)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide?
The InChIKey is QYSUKKTUGUTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15(28)17-9-11-18(12-10-17)32-14-22(29)24-13-21-16(2)33-23(25-21)19-7-5-6-8-20(19)26-34(30,31)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,24,29).
What are the key properties of 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide?
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide has a molecular weight of 486.55 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide is sourced from PubChem (CID 26362359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).