2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H18F3N3O5S — CID 38262706

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C15H18F3N3O5S/c1-10-14(11(2)26-19-10)27(23,24)20(3)8-13(22)21(9-15(16,17)18)7-12-5-4-6-25-12/h4-6H,7-9H2,1-3H3
InChIKeyZDNJNSKAFJKCII-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.10
Rot. Bonds7

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 38262706) has the molecular formula C15H18F3N3O5S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID38262706
Molecular FormulaC15H18F3N3O5S
Molecular Weight409.39 g/mol
Exact Mass409.09
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C15H18F3N3O5S/c1-10-14(11(2)26-19-10)27(23,24)20(3)8-13(22)21(9-15(16,17)18)7-12-5-4-6-25-12/h4-6H,7-9H2,1-3H3
InChIKeyZDNJNSKAFJKCII-UHFFFAOYSA-N
XLogP2.10
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 38262706) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZDNJNSKAFJKCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O5S/c1-10-14(11(2)26-19-10)27(23,24)20(3)8-13(22)21(9-15(16,17)18)7-12-5-4-6-25-12/h4-6H,7-9H2,1-3H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 409.39 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 38262706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).