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

C14H16N2O4S — CID 110660707

IUPAC3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2ncc(C)o2)c1
InChIInChI=1S/C14H16N2O4S/c1-10-9-15-14(20-10)6-7-16-21(18,19)13-5-3-4-12(8-13)11(2)17/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyKANJUODTIDZGJR-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.71
Rot. Bonds6

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

3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110660707) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110660707
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCc2ncc(C)o2)c1
InChIInChI=1S/C14H16N2O4S/c1-10-9-15-14(20-10)6-7-16-21(18,19)13-5-3-4-12(8-13)11(2)17/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyKANJUODTIDZGJR-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

N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660639
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 71912536
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-[2-(1,3-benzoxazol-6-yl)ethyl]benzenesulfonamide
CID 110791033
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395197
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 110660707) is 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCc2ncc(C)o2)c1.
What is the InChIKey of 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KANJUODTIDZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-9-15-14(20-10)6-7-16-21(18,19)13-5-3-4-12(8-13)11(2)17/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-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 3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110660707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).