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

C14H16N2O4S — CID 71789762

IUPAC4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-9-13(20-16-10)7-8-15-21(18,19)14-5-3-12(4-6-14)11(2)17/h3-6,9,15H,7-8H2,1-2H3
InChIKeyAHRUSPJJNGODIW-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.71
Rot. Bonds6

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

4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 71789762) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
PubChem CID71789762
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-9-13(20-16-10)7-8-15-21(18,19)14-5-3-12(4-6-14)11(2)17/h3-6,9,15H,7-8H2,1-2H3
InChIKeyAHRUSPJJNGODIW-UHFFFAOYSA-N
XLogP1.71
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
CID 90537808
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
CID 90537785
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
4-acetyl-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789307

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide (CID 71789762) is 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2cc(C)no2)cc1.
What is the InChIKey of 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is AHRUSPJJNGODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-9-13(20-16-10)7-8-15-21(18,19)14-5-3-12(4-6-14)11(2)17/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71789762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).