5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide

C18H21F3N2O3S2 — CID 6977648

IUPAC5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C18H21F3N2O3S2/c1-16(2)10-6-7-17(3,9-10)15(16)23-28(24,25)14-5-4-12(27-14)11-8-13(26-22-11)18(19,20)21/h4-5,8,10,15,23H,6-7,9H2,1-3H3/t10-,15-,17+/m1/s1
InChIKeyDUALNALUQKUVMH-FNDUUJAJSA-N
MW434.51 g/mol
LogP4.91
Rot. Bonds4

About 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide

5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide (PubChem CID 6977648) has the molecular formula C18H21F3N2O3S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
PubChem CID6977648
Molecular FormulaC18H21F3N2O3S2
Molecular Weight434.51 g/mol
Exact Mass434.09
IUPAC Name5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
SMILESCC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C18H21F3N2O3S2/c1-16(2)10-6-7-17(3,9-10)15(16)23-28(24,25)14-5-4-12(27-14)11-8-13(26-22-11)18(19,20)21/h4-5,8,10,15,23H,6-7,9H2,1-3H3/t10-,15-,17+/m1/s1
InChIKeyDUALNALUQKUVMH-FNDUUJAJSA-N
XLogP4.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025196
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide
CID 2742811
N-[(3-methylphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20936017
N-benzyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 2742810
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-YL]thiophene-2-sulfonamide
CID 20935891
N-butan-2-yl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935895
N-cyclohexyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935901
N-cyclopentyl-5-[3-(trifluoromethyl)isoxazol-5-yl]thiophene-2-sulfonamide
CID 20935902
N-(3-methylbutyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935929
N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935931
N-[(4-fluorophenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935944
N-(4-methylcyclohexyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935946

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide (CID 6977648) is 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide is CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?
The InChIKey is DUALNALUQKUVMH-FNDUUJAJSA-N. The full InChI is InChI=1S/C18H21F3N2O3S2/c1-16(2)10-6-7-17(3,9-10)15(16)23-28(24,25)14-5-4-12(27-14)11-8-13(26-22-11)18(19,20)21/h4-5,8,10,15,23H,6-7,9H2,1-3H3/t10-,15-,17+/m1/s1.
What are the key properties of 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide?
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide has a molecular weight of 434.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6977648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).