N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

C17H15F3N2O3S2 — CID 45106761

IUPACN-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C17H15F3N2O3S2/c1-3-11-6-4-5-7-12(11)22(2)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeySOFGTGHPHGDJOJ-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.81
Rot. Bonds5

About N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide

N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106761) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106761
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC NameN-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C17H15F3N2O3S2/c1-3-11-6-4-5-7-12(11)22(2)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeySOFGTGHPHGDJOJ-UHFFFAOYSA-N
XLogP4.81
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106762
N-(2-ethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939813
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-3-(trifluoromethyl)-1,2-oxazole
CID 45106725
ethane;N-methylmethanamine;3-phenyl-2-[[5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophen-2-yl]sulfonylamino]propanoic acid
CID 143065158
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 20936222
N-butyl-N-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935943
N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835681
methyl 5-[5-[benzyl(methyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950124
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
N-ethyl-N-(3-methylphenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
CID 68656573

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106761) is N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is CCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is SOFGTGHPHGDJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-3-11-6-4-5-7-12(11)22(2)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h4-10H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 416.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-methyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).