N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C14H10F3NO2S — CID 44563197

IUPACN-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,20)
InChIKeyMAHDYMLFMJRXOZ-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.42
Rot. Bonds4

About N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 44563197) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID44563197
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC NameN-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,20)
InChIKeyMAHDYMLFMJRXOZ-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
1-(5-{[Benzyl(methyl)amino]methyl}thiophen-2-yl)-2,2,2-trifluoroethan-1-one
CID 25023811
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 44563197) is N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is MAHDYMLFMJRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)12(19)10-6-7-11(21-10)13(20)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,20).
What are the key properties of N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 313.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 44563197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).