N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C17H14F3N3O3S2 — CID 90608216

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-5-1-10(2-6-12)9-28(24,25)23-13-7-8-27-14(13)16-21-15(22-26-16)11-3-4-11/h1-2,5-8,11,23H,3-4,9H2
InChIKeySDYGOWDYCOANSB-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 90608216) has the molecular formula C17H14F3N3O3S2 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID90608216
Molecular FormulaC17H14F3N3O3S2
Molecular Weight429.45 g/mol
Exact Mass429.04
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccsc1-c1nc(C2CC2)no1
InChIInChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-5-1-10(2-6-12)9-28(24,25)23-13-7-8-27-14(13)16-21-15(22-26-16)11-3-4-11/h1-2,5-8,11,23H,3-4,9H2
InChIKeySDYGOWDYCOANSB-UHFFFAOYSA-N
XLogP4.64
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 90608216) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)Nc1ccsc1-c1nc(C2CC2)no1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is SDYGOWDYCOANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S2/c18-17(19,20)12-5-1-10(2-6-12)9-28(24,25)23-13-7-8-27-14(13)16-21-15(22-26-16)11-3-4-11/h1-2,5-8,11,23H,3-4,9H2.
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 429.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 90608216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).