2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C15H17F3N2O3S — CID 9108394

IUPAC2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CSCC1=O
InChIInChI=1S/C15H17F3N2O3S/c1-2-5-23-12-4-3-10(15(16,17)18)6-11(12)19-13(21)7-20-9-24-8-14(20)22/h3-4,6H,2,5,7-9H2,1H3,(H,19,21)
InChIKeyBHXOSPUXJMARAW-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 9108394) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID9108394
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC Name2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CSCC1=O
InChIInChI=1S/C15H17F3N2O3S/c1-2-5-23-12-4-3-10(15(16,17)18)6-11(12)19-13(21)7-20-9-24-8-14(20)22/h3-4,6H,2,5,7-9H2,1H3,(H,19,21)
InChIKeyBHXOSPUXJMARAW-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 9108394) is 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1CSCC1=O.
What is the InChIKey of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BHXOSPUXJMARAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c1-2-5-23-12-4-3-10(15(16,17)18)6-11(12)19-13(21)7-20-9-24-8-14(20)22/h3-4,6H,2,5,7-9H2,1H3,(H,19,21).
What are the key properties of 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,3-thiazolidin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9108394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).