2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H16F3N3O4S — CID 27687532

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O4S/c1-9-14(10(2)25-20-9)26(23,24)21(3)8-13(22)19-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyHQOSLWWVMSUYQK-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.57
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 27687532) has the molecular formula C15H16F3N3O4S and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID27687532
Molecular FormulaC15H16F3N3O4S
Molecular Weight391.37 g/mol
Exact Mass391.08
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O4S/c1-9-14(10(2)25-20-9)26(23,24)21(3)8-13(22)19-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22)
InChIKeyHQOSLWWVMSUYQK-UHFFFAOYSA-N
XLogP2.57
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1248291
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 27687567
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 110335555
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110335714
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
N-[1-(3-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 24608455
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113150198
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482
2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20862437
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 27687532) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HQOSLWWVMSUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4S/c1-9-14(10(2)25-20-9)26(23,24)21(3)8-13(22)19-12-6-4-5-11(7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27687532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).