N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C15H16F3N3O3S — CID 46696387

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2CCSC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O3S/c1-9(22)19-10-2-3-12(11(8-10)15(16,17)18)20-13(23)4-5-21-6-7-25-14(21)24/h2-3,8H,4-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyHGQHVOYOHXJOFM-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.16
Rot. Bonds5

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 46696387) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID46696387
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2CCSC2=O)c(C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O3S/c1-9(22)19-10-2-3-12(11(8-10)15(16,17)18)20-13(23)4-5-21-6-7-25-14(21)24/h2-3,8H,4-7H2,1H3,(H,19,22)(H,20,23)
InChIKeyHGQHVOYOHXJOFM-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46565159
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55513060
5-hydroxy-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoic acid
CID 61406074
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
N-(3,5-difluorophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18102547
N-[4-(hydroxymethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 64795223
methyl 2-[[4-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]benzoyl]amino]acetate
CID 51241311
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505901
4-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122075194
N-(2-methyl-5-nitrophenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46628946

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 46696387) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCN2CCSC2=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is HGQHVOYOHXJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-9(22)19-10-2-3-12(11(8-10)15(16,17)18)20-13(23)4-5-21-6-7-25-14(21)24/h2-3,8H,4-7H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 375.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 46696387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).