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

C12H16F3N3O2S — CID 103422845

IUPAC5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-6(19)9-8(16)7(10(20)17-2)11(21-9)18(3)5-4-12(13,14)15/h4-5,16H2,1-3H3,(H,17,20)
InChIKeyYVLYEYMUGLAJGD-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.28
Rot. Bonds5

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

5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (PubChem CID 103422845) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
PubChem CID103422845
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
SMILESCNC(=O)c1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N
InChIInChI=1S/C12H16F3N3O2S/c1-6(19)9-8(16)7(10(20)17-2)11(21-9)18(3)5-4-12(13,14)15/h4-5,16H2,1-3H3,(H,17,20)
InChIKeyYVLYEYMUGLAJGD-UHFFFAOYSA-N
XLogP2.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.28
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-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide (CID 103422845) is 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is CNC(=O)c1c(N(C)CCC(F)(F)F)sc(C(C)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
The InChIKey is YVLYEYMUGLAJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-6(19)9-8(16)7(10(20)17-2)11(21-9)18(3)5-4-12(13,14)15/h4-5,16H2,1-3H3,(H,17,20).
What are the key properties of 5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide?
5-acetyl-4-amino-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 2.28, 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-N-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 103422845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).