5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H9F3N2O2S — CID 18129589

IUPAC5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O2S/c1-5(15)14-7-3-2-6(17-7)8(16)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyXGHQEPYXMWIPMO-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.00
Rot. Bonds3

About 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 18129589) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID18129589
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C9H9F3N2O2S/c1-5(15)14-7-3-2-6(17-7)8(16)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,16)(H,14,15)
InChIKeyXGHQEPYXMWIPMO-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 18129589) is 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is XGHQEPYXMWIPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-5(15)14-7-3-2-6(17-7)8(16)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18129589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).