N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide

C13H14N2O4S — CID 2969761

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9-3-5-11(6-4-9)20(17,18)8-13(16)14-12-7-10(2)19-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyZQRRCUDUKCOXIF-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.70
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 2969761) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID2969761
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9-3-5-11(6-4-9)20(17,18)8-13(16)14-12-7-10(2)19-15-12/h3-7H,8H2,1-2H3,(H,14,15,16)
InChIKeyZQRRCUDUKCOXIF-UHFFFAOYSA-N
XLogP1.70
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 22474540
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498562
5-(Tert-butyl)-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2813928
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084474
2-[(2-methoxyethyl)thio]-N-(5-methyl-3-isoxazolyl)benzamide
CID 2218470
4-(diethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4963102
5-Methyl-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2740796

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide (CID 2969761) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is ZQRRCUDUKCOXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-3-5-11(6-4-9)20(17,18)8-13(16)14-12-7-10(2)19-15-12/h3-7H,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 294.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 2969761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).