5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

C18H15F3N2O4S2 — CID 53103050

IUPAC5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C18H15F3N2O4S2/c19-18(20,21)27-13-6-4-12(5-7-13)23-29(24,25)16-9-8-15(28-16)14-10-22-17(26-14)11-2-1-3-11/h4-11,23H,1-3H2
InChIKeyLHVJUALQAZGPOX-UHFFFAOYSA-N
MW444.46 g/mol
LogP5.37
Rot. Bonds6

About 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53103050) has the molecular formula C18H15F3N2O4S2 and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID53103050
Molecular FormulaC18H15F3N2O4S2
Molecular Weight444.46 g/mol
Exact Mass444.04
IUPAC Name5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1
InChIInChI=1S/C18H15F3N2O4S2/c19-18(20,21)27-13-6-4-12(5-7-13)23-29(24,25)16-9-8-15(28-16)14-10-22-17(26-14)11-2-1-3-11/h4-11,23H,1-3H2
InChIKeyLHVJUALQAZGPOX-UHFFFAOYSA-N
XLogP5.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53068184
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(3,4,5-trimethoxyphenyl)thiophene-2-sulfonamide
CID 53103004
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[(5-methylfuran-2-yl)methyl]thiophene-2-sulfonamide
CID 53103047
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
N-benzyl-5-(2-cyclopentyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53103169
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 53103180

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 53103050) is 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCC3)o2)s1.
What is the InChIKey of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is LHVJUALQAZGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4S2/c19-18(20,21)27-13-6-4-12(5-7-13)23-29(24,25)16-9-8-15(28-16)14-10-22-17(26-14)11-2-1-3-11/h4-11,23H,1-3H2.
What are the key properties of 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 444.46 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).