2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C20H18F3N3O3S — CID 166755204

IUPAC2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESC=C(Nc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)c1ncco1
InChIInChI=1S/C20H18F3N3O3S/c1-3-14-4-7-17(25-13(2)19-24-10-11-29-19)12-18(14)30(27,28)26-16-8-5-15(6-9-16)20(21,22)23/h4-12,25-26H,2-3H2,1H3
InChIKeyCMYYCQJEGOUUTI-UHFFFAOYSA-N
MW437.44 g/mol
LogP5.14
Rot. Bonds7

About 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 166755204) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID166755204
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESC=C(Nc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)c1ncco1
InChIInChI=1S/C20H18F3N3O3S/c1-3-14-4-7-17(25-13(2)19-24-10-11-29-19)12-18(14)30(27,28)26-16-8-5-15(6-9-16)20(21,22)23/h4-12,25-26H,2-3H2,1H3
InChIKeyCMYYCQJEGOUUTI-UHFFFAOYSA-N
XLogP5.14
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-ethyl-3-[4-(trifluoromethyl)anilino]sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859712
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 168786242
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 106368991
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106368992
5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369154
5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369155
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387564
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,3-oxazol-2-ylmethyl)acetamide
CID 68287130
4-[(5Z)-1-(benzenesulfonyl)-7-methylidene-8-(1,3-oxazol-2-yl)-2H-1,3-diazonin-5-yl]-N-methylaniline
CID 173297841
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106368982

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 166755204) is 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is C=C(Nc1ccc(CC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1)c1ncco1.
What is the InChIKey of 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is CMYYCQJEGOUUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-3-14-4-7-17(25-13(2)19-24-10-11-29-19)12-18(14)30(27,28)26-16-8-5-15(6-9-16)20(21,22)23/h4-12,25-26H,2-3H2,1H3.
What are the key properties of 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 437.44 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166755204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).