N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H12F3N3OS — CID 78914916

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1sc(NC(=O)CNCC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C11H12F3N3OS/c1-6-7(2)19-10(8(6)3-15)17-9(18)4-16-5-11(12,13)14/h16H,4-5H2,1-2H3,(H,17,18)
InChIKeyAUCRPYCEEQMCAT-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.33
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914916) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914916
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1sc(NC(=O)CNCC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C11H12F3N3OS/c1-6-7(2)19-10(8(6)3-15)17-9(18)4-16-5-11(12,13)14/h16H,4-5H2,1-2H3,(H,17,18)
InChIKeyAUCRPYCEEQMCAT-UHFFFAOYSA-N
XLogP2.33
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914916) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1sc(NC(=O)CNCC(F)(F)F)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AUCRPYCEEQMCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-6-7(2)19-10(8(6)3-15)17-9(18)4-16-5-11(12,13)14/h16H,4-5H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 291.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).