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

C20H17F3N4O2S — CID 3222052

IUPACN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1C(F)(F)F)NCCc1ccccc1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-8-4-5-9-17(15)27(19(29)16-13-30-26-25-16)12-18(28)24-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,24,28)
InChIKeyYIMQILMUEWAIPG-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.56
Rot. Bonds7

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

N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 3222052) 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-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID3222052
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC NameN-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(CN(C(=O)c1csnn1)c1ccccc1C(F)(F)F)NCCc1ccccc1
InChIInChI=1S/C20H17F3N4O2S/c21-20(22,23)15-8-4-5-9-17(15)27(19(29)16-13-30-26-25-16)12-18(28)24-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,24,28)
InChIKeyYIMQILMUEWAIPG-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-methoxyphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24792271
N-(3-acetylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 24793351
N-(4-cyclohexylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 3221963
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
CID 3670704
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113175030
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 43815572
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91832676
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-cyclopropyl-N-[(1R)-1-(5-methylfuran-2-yl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7205524
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-phenylacetamide
CID 113175032
2-(N-acetyl-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 113173145

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 3222052) is N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is O=C(CN(C(=O)c1csnn1)c1ccccc1C(F)(F)F)NCCc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is YIMQILMUEWAIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c21-20(22,23)15-8-4-5-9-17(15)27(19(29)16-13-30-26-25-16)12-18(28)24-11-10-14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,24,28).
What are the key properties of N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-[2-(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-[2-(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).