N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

C20H17F3N4O2S — CID 24792284

IUPACN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NCCc1ccccc1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-7-4-8-16(11-15)27(19(29)17-13-30-26-25-17)12-18(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,24,28)
InChIKeyGDMQFFLYASLWDW-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.56
Rot. Bonds7

About N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 24792284) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID24792284
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NCCc1ccccc1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-7-4-8-16(11-15)27(19(29)17-13-30-26-25-17)12-18(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,24,28)
InChIKeyGDMQFFLYASLWDW-UHFFFAOYSA-N
XLogP3.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]propylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010077
N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]butylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010078
N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3003383
N-[4-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010074
N-[4-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010075
N-[4-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 3010076
1,2,3-Thiadiazole-4-carboxamide, N-[4-[[[[[3,5-bis(trifluoromethyl)phenyl]phenylmethyl]amino]thioxomethyl]amino]phenyl]-
CID 3010079
[1,2,3]Thiadiazole-4-carboxylic acid [tert-butylcarbamoyl-(4-dimethylamino-phenyl)-methyl]-cyclopropyl-amide
CID 648193
N-(3,4-dimethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452284
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-propan-2-ylphenyl)thiadiazole-4-carboxamide
CID 1452399
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-phenyl-amide
CID 3219165

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 24792284) is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1cccc(C(F)(F)F)c1)NCCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is GDMQFFLYASLWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c21-20(22,23)15-7-4-8-16(11-15)27(19(29)17-13-30-26-25-17)12-18(28)24-10-9-14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2,(H,24,28).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 24792284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).