N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

C15H13F3N2O2S — CID 42944393

IUPACN-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCC(F)(F)F)c1ccccc1)c1cccs1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)9-19-14(22)12(10-5-2-1-3-6-10)20-13(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,22)(H,20,21)
InChIKeyQEQYCVFRWHSBRN-UHFFFAOYSA-N
MW342.34 g/mol
LogP2.90
Rot. Bonds5

About N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide

N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 42944393) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
PubChem CID42944393
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCC(F)(F)F)c1ccccc1)c1cccs1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)9-19-14(22)12(10-5-2-1-3-6-10)20-13(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,22)(H,20,21)
InChIKeyQEQYCVFRWHSBRN-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24668774
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653801
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24662353
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide (CID 42944393) is N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is O=C(NC(C(=O)NCC(F)(F)F)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is QEQYCVFRWHSBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)9-19-14(22)12(10-5-2-1-3-6-10)20-13(21)11-7-4-8-23-11/h1-8,12H,9H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42944393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).