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

C10H11F3N2O2S — CID 4113444

IUPAC4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C10H11F3N2O2S/c1-3-5-4(2)18-8(6(5)7(14)16)15-9(17)10(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyUYXMDVUXHAOTTN-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.22
Rot. Bonds3

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

4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 4113444) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID4113444
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C10H11F3N2O2S/c1-3-5-4(2)18-8(6(5)7(14)16)15-9(17)10(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyUYXMDVUXHAOTTN-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 4113444) is 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is UYXMDVUXHAOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-3-5-4(2)18-8(6(5)7(14)16)15-9(17)10(11,12)13/h3H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 4113444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).