5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide

C10H10F3IN2O2S — CID 78948403

IUPAC5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C10H10F3IN2O2S/c1-16(3-8(17)15-5-10(11,12)13)9(18)6-2-7(14)19-4-6/h2,4H,3,5H2,1H3,(H,15,17)
InChIKeyYGSROEZTUMXVON-UHFFFAOYSA-N
MW406.17 g/mol
LogP2.10
Rot. Bonds4

About 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide

5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide (PubChem CID 78948403) has the molecular formula C10H10F3IN2O2S and a molecular weight of 406.17 g/mol. Its IUPAC name is 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide
PubChem CID78948403
Molecular FormulaC10H10F3IN2O2S
Molecular Weight406.17 g/mol
Exact Mass405.95
IUPAC Name5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)c1csc(I)c1
InChIInChI=1S/C10H10F3IN2O2S/c1-16(3-8(17)15-5-10(11,12)13)9(18)6-2-7(14)19-4-6/h2,4H,3,5H2,1H3,(H,15,17)
InChIKeyYGSROEZTUMXVON-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide (CID 78948403) is 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide is CN(CC(=O)NCC(F)(F)F)C(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide?
The InChIKey is YGSROEZTUMXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2O2S/c1-16(3-8(17)15-5-10(11,12)13)9(18)6-2-7(14)19-4-6/h2,4H,3,5H2,1H3,(H,15,17).
What are the key properties of 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide?
5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide has a molecular weight of 406.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78948403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).