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

C15H13F3N2O3S3 — CID 50839424

IUPAC2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C15H13F3N2O3S3/c1-9-13(26(21,22)19-5-4-10-3-2-6-24-10)8-12(25-9)11-7-14(23-20-11)15(16,17)18/h2-3,6-8,19H,4-5H2,1H3
InChIKeyAZNZZNNWEMZWBZ-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.31
Rot. Bonds6

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

2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (PubChem CID 50839424) has the molecular formula C15H13F3N2O3S3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
PubChem CID50839424
Molecular FormulaC15H13F3N2O3S3
Molecular Weight422.48 g/mol
Exact Mass422.00
IUPAC Name2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
SMILESCc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCc1cccs1
InChIInChI=1S/C15H13F3N2O3S3/c1-9-13(26(21,22)19-5-4-10-3-2-6-24-10)8-12(25-9)11-7-14(23-20-11)15(16,17)18/h2-3,6-8,19H,4-5H2,1H3
InChIKeyAZNZZNNWEMZWBZ-UHFFFAOYSA-N
XLogP4.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(tetrahydro-1H-pyrrol-1-ylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CID 2823119
3-(Thiophen-2-yl)-5-(trifluoromethyl)isoxazole
CID 736194
N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
N-[(3-bromophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025258
N,N-Dimethyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonamide
CID 542127
Methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
1-Methyl-4-({5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophen-2-YL}sulfonyl)piperazine
CID 2742815
N-(4-piperidin-1-ylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 2814752
N-(2-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025003
N-Benzyl-N-(propan-2-YL)-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-2-sulfonamide
CID 16025224
N-{[4-(Dimethylamino)phenyl]methyl}-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-2-sulfonamide
CID 16025256
N-propyl-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106738

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide (CID 50839424) is 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCc1cccs1.
What is the InChIKey of 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is AZNZZNNWEMZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S3/c1-9-13(26(21,22)19-5-4-10-3-2-6-24-10)8-12(25-9)11-7-14(23-20-11)15(16,17)18/h2-3,6-8,19H,4-5H2,1H3.
What are the key properties of 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide?
2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 422.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-2-ylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 50839424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).