5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

C19H17F3N2O4S2 — CID 53103164

IUPAC5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1
InChIInChI=1S/C19H17F3N2O4S2/c20-19(21,22)28-14-7-5-13(6-8-14)24-30(25,26)17-10-9-16(29-17)15-11-23-18(27-15)12-3-1-2-4-12/h5-12,24H,1-4H2
InChIKeySAUDMIWQNMIWTR-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.76
Rot. Bonds6

About 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53103164) has the molecular formula C19H17F3N2O4S2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID53103164
Molecular FormulaC19H17F3N2O4S2
Molecular Weight458.48 g/mol
Exact Mass458.06
IUPAC Name5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1
InChIInChI=1S/C19H17F3N2O4S2/c20-19(21,22)28-14-7-5-13(6-8-14)24-30(25,26)17-10-9-16(29-17)15-11-23-18(27-15)12-3-1-2-4-12/h5-12,24H,1-4H2
InChIKeySAUDMIWQNMIWTR-UHFFFAOYSA-N
XLogP5.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 53103164) is 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1.
What is the InChIKey of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is SAUDMIWQNMIWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4S2/c20-19(21,22)28-14-7-5-13(6-8-14)24-30(25,26)17-10-9-16(29-17)15-11-23-18(27-15)12-3-1-2-4-12/h5-12,24H,1-4H2.
What are the key properties of 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 458.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53103164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).