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

C8H7F3N2O2S — CID 2807628

IUPAC4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1csc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C8H7F3N2O2S/c1-3-2-16-6(4(3)5(12)14)13-7(15)8(9,10)11/h2H,1H3,(H2,12,14)(H,13,15)
InChIKeyBXWCXPILNUOWHH-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.66
Rot. Bonds2

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

4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (PubChem CID 2807628) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
PubChem CID2807628
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Name4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide
SMILESCc1csc(NC(=O)C(F)(F)F)c1C(N)=O
InChIInChI=1S/C8H7F3N2O2S/c1-3-2-16-6(4(3)5(12)14)13-7(15)8(9,10)11/h2H,1H3,(H2,12,14)(H,13,15)
InChIKeyBXWCXPILNUOWHH-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide (CID 2807628) is 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is Cc1csc(NC(=O)C(F)(F)F)c1C(N)=O.
What is the InChIKey of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
The InChIKey is BXWCXPILNUOWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-3-2-16-6(4(3)5(12)14)13-7(15)8(9,10)11/h2H,1H3,(H2,12,14)(H,13,15).
What are the key properties of 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide?
4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2807628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).