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

C21H21F3N2O4S — CID 24505901

IUPACN-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCN2CCSC2=O)cc1
InChIInChI=1S/C21H21F3N2O4S/c1-2-29-15-4-6-16(7-5-15)30-18-8-3-14(21(22,23)24)13-17(18)25-19(27)9-10-26-11-12-31-20(26)28/h3-8,13H,2,9-12H2,1H3,(H,25,27)
InChIKeyYHEGQBUHMPWQBO-UHFFFAOYSA-N
MW454.47 g/mol
LogP5.39
Rot. Bonds8

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

N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 24505901) has the molecular formula C21H21F3N2O4S and a molecular weight of 454.47 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID24505901
Molecular FormulaC21H21F3N2O4S
Molecular Weight454.47 g/mol
Exact Mass454.12
IUPAC NameN-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCN2CCSC2=O)cc1
InChIInChI=1S/C21H21F3N2O4S/c1-2-29-15-4-6-16(7-5-15)30-18-8-3-14(21(22,23)24)13-17(18)25-19(27)9-10-26-11-12-31-20(26)28/h3-8,13H,2,9-12H2,1H3,(H,25,27)
InChIKeyYHEGQBUHMPWQBO-UHFFFAOYSA-N
XLogP5.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55336924
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24505987
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46696387
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 26918034
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
(1R,2R,4R)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11921158
N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
CID 2440684
N-[2-(difluoromethoxy)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093501
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]thiophene-2-carboxylic acid
CID 43358194
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 24505901) is N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCN2CCSC2=O)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is YHEGQBUHMPWQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4S/c1-2-29-15-4-6-16(7-5-15)30-18-8-3-14(21(22,23)24)13-17(18)25-19(27)9-10-26-11-12-31-20(26)28/h3-8,13H,2,9-12H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 454.47 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 24505901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).