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

C17H15F3N2O3S2 — CID 45106796

IUPACN-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C17H15F3N2O3S2/c1-2-22(11-12-6-4-3-5-7-12)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyJHZALWDAGCPJDS-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.63
Rot. Bonds6

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

N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (PubChem CID 45106796) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
PubChem CID45106796
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC NameN-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1
InChIInChI=1S/C17H15F3N2O3S2/c1-2-22(11-12-6-4-3-5-7-12)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyJHZALWDAGCPJDS-UHFFFAOYSA-N
XLogP4.63
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16024977
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
N-[(2-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025226
1-(2,5-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936213
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide (CID 45106796) is N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1.
What is the InChIKey of N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is JHZALWDAGCPJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-2-22(11-12-6-4-3-5-7-12)27(23,24)16-9-8-14(26-16)13-10-15(21-25-13)17(18,19)20/h3-10H,2,11H2,1H3.
What are the key properties of N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide?
N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 416.45 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 45106796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).