N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C15H12F3NO2S — CID 25023798

IUPACN-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyDPKHRWMGXRDLLO-VIFPVBQESA-N
MW327.33 g/mol
LogP3.98
Rot. Bonds4

About N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 25023798) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID25023798
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC NameN-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1
InChIKeyDPKHRWMGXRDLLO-VIFPVBQESA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 25023798) is N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(C(=O)C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is DPKHRWMGXRDLLO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-9(10-5-3-2-4-6-10)19-14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-9H,1H3,(H,19,21)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).