2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C20H18F3N3O5S — CID 2663987

IUPAC2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O5S/c1-13-10-18(25-31-13)24-19(27)12-26(16-8-3-4-9-17(16)30-2)32(28,29)15-7-5-6-14(11-15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,25,27)
InChIKeyVFUPUJCKLIMBPG-UHFFFAOYSA-N
MW469.44 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2663987) has the molecular formula C20H18F3N3O5S and a molecular weight of 469.44 g/mol. Its IUPAC name is 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2663987
Molecular FormulaC20H18F3N3O5S
Molecular Weight469.44 g/mol
Exact Mass469.09
IUPAC Name2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O5S/c1-13-10-18(25-31-13)24-19(27)12-26(16-8-3-4-9-17(16)30-2)32(28,29)15-7-5-6-14(11-15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,25,27)
InChIKeyVFUPUJCKLIMBPG-UHFFFAOYSA-N
XLogP3.84
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2663987) is 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VFUPUJCKLIMBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O5S/c1-13-10-18(25-31-13)24-19(27)12-26(16-8-3-4-9-17(16)30-2)32(28,29)15-7-5-6-14(11-15)20(21,22)23/h3-11H,12H2,1-2H3,(H,24,25,27).
What are the key properties of 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 469.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2663987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).