4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C14H16N2O4S — CID 86825342

IUPAC4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1
InChIInChI=1S/C14H16N2O4S/c1-9-11(3)20-14(16-9)8-15-21(18,19)13-6-4-12(5-7-13)10(2)17/h4-7,15H,8H2,1-3H3
InChIKeyPFIJAKJOUTTYOM-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.97
Rot. Bonds5

About 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 86825342) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID86825342
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1
InChIInChI=1S/C14H16N2O4S/c1-9-11(3)20-14(16-9)8-15-21(18,19)13-6-4-12(5-7-13)10(2)17/h4-7,15H,8H2,1-3H3
InChIKeyPFIJAKJOUTTYOM-UHFFFAOYSA-N
XLogP1.97
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
4-methyl-2-[[(4-methylphenyl)sulfonylamino]methyl]-1,3-oxazole-5-carboxamide
CID 68805332
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 110731123
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 87043542
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 87043414
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 106377947
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195616

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 86825342) is 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2nc(C)c(C)o2)cc1.
What is the InChIKey of 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is PFIJAKJOUTTYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-11(3)20-14(16-9)8-15-21(18,19)13-6-4-12(5-7-13)10(2)17/h4-7,15H,8H2,1-3H3.
What are the key properties of 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 86825342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).