N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide

C14H11F3N2O2S — CID 17444241

IUPACN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccsc2)c1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-22-7-10/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyVQNHNZAHQYUSIU-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.29
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide

N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 17444241) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID17444241
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC NameN-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccsc2)c1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-22-7-10/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyVQNHNZAHQYUSIU-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)thiophene-3-carboxamide
CID 17015852
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
3-[[4-(methylsulfanylmethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 18271385
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
3-(4-methylphenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24600385
N-[3-(aminomethyl)phenyl]thiophene-3-carboxamide
CID 63254340
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(3-amino-2,2-difluoropropyl)thiophene-3-carboxamide
CID 114383347
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[3-(sulfamoylamino)phenyl]thiophene-3-carboxamide
CID 60728385

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 17444241) is N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide is O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccsc2)c1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is VQNHNZAHQYUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)8-18-12(20)9-2-1-3-11(6-9)19-13(21)10-4-5-22-7-10/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide?
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 17444241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).