N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

C13H15N3O4S — CID 6662

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IUPACN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
InChIKeyJFNWFXVFBDDWCX-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.62
Rot. Bonds3

About N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (PubChem CID 6662) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
PubChem CID6662
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
InChIKeyJFNWFXVFBDDWCX-UHFFFAOYSA-N
XLogP1.62
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 174831102
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 177463125
N-(4-aminophenyl)-N-methylsulfonylacetamide
CID 71399736
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
N-(benzenesulfonyl)-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 1488710
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-dodecylbenzenesulfonamide
CID 54316664
acetamide;4-aminobenzenesulfonamide
CID 175093651
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
2-(4-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpropanamide
CID 80556120
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-phenyl-N-(4-phenylphenyl)sulfonylbenzenesulfonamide
CID 15453171
N-acetyl-N-(4-aminophenyl)sulfonyl-2,2,3-trimethylcyclopentane-1-carboxamide
CID 89173599

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (CID 6662) is N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is JFNWFXVFBDDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3.
What are the key properties of N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 6662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).