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

C17H15F3N2O3S2 — CID 20935948

IUPACN-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)c1ccccc1
InChIInChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)10-21-27(23,24)16-8-7-14(26-16)13-9-15(25-22-13)17(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyVOUPZVOVPVFAEE-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.50
Rot. Bonds6

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

N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935948) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935948
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC NameN-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)c1ccccc1
InChIInChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)10-21-27(23,24)16-8-7-14(26-16)13-9-15(25-22-13)17(18,19)20/h2-9,11,21H,10H2,1H3
InChIKeyVOUPZVOVPVFAEE-UHFFFAOYSA-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-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935948) is N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is CC(CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is VOUPZVOVPVFAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-11(12-5-3-2-4-6-12)10-21-27(23,24)16-8-7-14(26-16)13-9-15(25-22-13)17(18,19)20/h2-9,11,21H,10H2,1H3.
What are the key properties of N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(2-phenylpropyl)-5-[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-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).