N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

C19H16F3N3O4S — CID 168786242

IUPACN-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O4S/c1-2-12-3-6-15(24-17(26)18-23-9-10-29-18)11-16(12)30(27,28)25-14-7-4-13(5-8-14)19(20,21)22/h3-11,25H,2H2,1H3,(H,24,26)
InChIKeyZRZARLVQQMWITP-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.31
Rot. Bonds6

About N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide

N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 168786242) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
PubChem CID168786242
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC NameN-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H16F3N3O4S/c1-2-12-3-6-15(24-17(26)18-23-9-10-29-18)11-16(12)30(27,28)25-14-7-4-13(5-8-14)19(20,21)22/h3-11,25H,2H2,1H3,(H,24,26)
InChIKeyZRZARLVQQMWITP-UHFFFAOYSA-N
XLogP4.31
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.31
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-fluoroanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156860002
2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166755204
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
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
N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide
CID 12618838
N-(4-methylphenyl)sulfonyl-5-(2-propan-2-ylanilino)-1,3-oxazole-2-carboxamide
CID 21807086

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide (CID 168786242) is N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is CCc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is ZRZARLVQQMWITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c1-2-12-3-6-15(24-17(26)18-23-9-10-29-18)11-16(12)30(27,28)25-14-7-4-13(5-8-14)19(20,21)22/h3-11,25H,2H2,1H3,(H,24,26).
What are the key properties of N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide?
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 168786242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).