2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H13F3N2OS — CID 54977382

IUPAC2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(C(NCC(F)(F)F)C(N)=O)c(C)s1
InChIInChI=1S/C10H13F3N2OS/c1-5-3-7(6(2)17-5)8(9(14)16)15-4-10(11,12)13/h3,8,15H,4H2,1-2H3,(H2,14,16)
InChIKeyIDQKSGUHQOKUNM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.04
Rot. Bonds4

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

2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 54977382) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID54977382
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(C(NCC(F)(F)F)C(N)=O)c(C)s1
InChIInChI=1S/C10H13F3N2OS/c1-5-3-7(6(2)17-5)8(9(14)16)15-4-10(11,12)13/h3,8,15H,4H2,1-2H3,(H2,14,16)
InChIKeyIDQKSGUHQOKUNM-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 54977382) is 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cc(C(NCC(F)(F)F)C(N)=O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IDQKSGUHQOKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-5-3-7(6(2)17-5)8(9(14)16)15-4-10(11,12)13/h3,8,15H,4H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 266.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 54977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).