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

C16H13F3N2O3S2 — CID 20935931

IUPACN-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C16H13F3N2O3S2/c17-16(18,19)14-10-12(21-24-14)13-6-7-15(25-13)26(22,23)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyFFKRKSXTFGXPPP-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.94
Rot. Bonds6

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

N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (PubChem CID 20935931) has the molecular formula C16H13F3N2O3S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
PubChem CID20935931
Molecular FormulaC16H13F3N2O3S2
Molecular Weight402.42 g/mol
Exact Mass402.03
IUPAC NameN-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
InChIInChI=1S/C16H13F3N2O3S2/c17-16(18,19)14-10-12(21-24-14)13-6-7-15(25-13)26(22,23)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyFFKRKSXTFGXPPP-UHFFFAOYSA-N
XLogP3.94
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide (CID 20935931) is N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1.
What is the InChIKey of N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is FFKRKSXTFGXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S2/c17-16(18,19)14-10-12(21-24-14)13-6-7-15(25-13)26(22,23)20-9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2.
What are the key properties of N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide?
N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 402.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 20935931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).