N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide

C15H13F3N2O2S — CID 95774795

IUPACN-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)N[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)13(10-4-2-1-3-5-10)20-12(21)8-19-14(22)11-6-7-23-9-11/h1-7,9,13H,8H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyYJFQWMZABRQQPF-CYBMUJFWSA-N
MW342.34 g/mol
LogP2.90
Rot. Bonds5

About N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide

N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide (PubChem CID 95774795) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
PubChem CID95774795
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide
SMILESO=C(CNC(=O)c1ccsc1)N[C@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)13(10-4-2-1-3-5-10)20-12(21)8-19-14(22)11-6-7-23-9-11/h1-7,9,13H,8H2,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyYJFQWMZABRQQPF-CYBMUJFWSA-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

Analyze N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide with MolForge

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Related Compounds

2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643
N-[2-[[(2R)-1-(N-methylanilino)propan-2-yl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 95591134
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
N-[2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]thiophene-3-carboxamide
CID 51104213
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
4-methyl-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]pentanamide
CID 52652867
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetic acid
CID 54593024
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
N-(3-amino-2,2-difluoropropyl)thiophene-3-carboxamide
CID 114383347

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide (CID 95774795) is N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide is O=C(CNC(=O)c1ccsc1)N[C@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide?
The InChIKey is YJFQWMZABRQQPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)13(10-4-2-1-3-5-10)20-12(21)8-19-14(22)11-6-7-23-9-11/h1-7,9,13H,8H2,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide?
N-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-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-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 95774795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).