N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

C17H15F3N2O3S2 — CID 92884993

IUPACN-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1)c1ccccc1
InChIInChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)9-21-27(23,24)16-7-13(10-26-16)14-8-15(25-22-14)17(18,19)20/h2-8,10-11,21H,9H2,1H3/t11-/m1/s1
InChIKeyVDFHWSULKGQFHS-LLVKDONJSA-N
MW416.45 g/mol
LogP4.50
Rot. Bonds6

About N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 92884993) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID92884993
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC NameN-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESC[C@H](CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1)c1ccccc1
InChIInChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)9-21-27(23,24)16-7-13(10-26-16)14-8-15(25-22-14)17(18,19)20/h2-8,10-11,21H,9H2,1H3/t11-/m1/s1
InChIKeyVDFHWSULKGQFHS-LLVKDONJSA-N
XLogP4.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 92884993) is N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is C[C@H](CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is VDFHWSULKGQFHS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)9-21-27(23,24)16-7-13(10-26-16)14-8-15(25-22-14)17(18,19)20/h2-8,10-11,21H,9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 416.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylpropyl]-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 92884993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).