5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide

C11H14F3N3O2S — CID 103422841

IUPAC5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H14F3N3O2S/c1-5(18)8-7(15)6(9(16)19)10(20-8)17(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19)
InChIKeyOCCCQZJLOVGJKU-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.02
Rot. Bonds5

About 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide

5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (PubChem CID 103422841) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
PubChem CID103422841
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C11H14F3N3O2S/c1-5(18)8-7(15)6(9(16)19)10(20-8)17(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19)
InChIKeyOCCCQZJLOVGJKU-UHFFFAOYSA-N
XLogP2.02
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (CID 103422841) is 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is CC(=O)c1sc(N(C)CCC(F)(F)F)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The InChIKey is OCCCQZJLOVGJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-5(18)8-7(15)6(9(16)19)10(20-8)17(2)4-3-11(12,13)14/h3-4,15H2,1-2H3,(H2,16,19).
What are the key properties of 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 103422841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).