5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide

C13H8ClF3N2O2S — CID 2807844

IUPAC5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O2S/c14-7-3-1-6(2-4-7)9-5-8(10(22-9)11(18)20)19-12(21)13(15,16)17/h1-5H,(H2,18,20)(H,19,21)
InChIKeyNXNFPOSVKQTVRP-UHFFFAOYSA-N
MW348.73 g/mol
LogP3.67
Rot. Bonds3

About 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide

5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide (PubChem CID 2807844) has the molecular formula C13H8ClF3N2O2S and a molecular weight of 348.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
PubChem CID2807844
Molecular FormulaC13H8ClF3N2O2S
Molecular Weight348.73 g/mol
Exact Mass347.99
IUPAC Name5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide
SMILESNC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C13H8ClF3N2O2S/c14-7-3-1-6(2-4-7)9-5-8(10(22-9)11(18)20)19-12(21)13(15,16)17/h1-5H,(H2,18,20)(H,19,21)
InChIKeyNXNFPOSVKQTVRP-UHFFFAOYSA-N
XLogP3.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide (CID 2807844) is 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide is NC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
The InChIKey is NXNFPOSVKQTVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2S/c14-7-3-1-6(2-4-7)9-5-8(10(22-9)11(18)20)19-12(21)13(15,16)17/h1-5H,(H2,18,20)(H,19,21).
What are the key properties of 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide?
5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide has a molecular weight of 348.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 2807844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).