N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C9H9F3INO2S — CID 79693695

IUPACN-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9F3INO2S/c10-9(11,12)5-14(1-2-15)8(16)6-3-7(13)17-4-6/h3-4,15H,1-2,5H2
InChIKeyZWSOJNNPIQYOIF-UHFFFAOYSA-N
MW379.14 g/mol
LogP2.35
Rot. Bonds4

About N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 79693695) has the molecular formula C9H9F3INO2S and a molecular weight of 379.14 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID79693695
Molecular FormulaC9H9F3INO2S
Molecular Weight379.14 g/mol
Exact Mass378.94
IUPAC NameN-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESO=C(c1csc(I)c1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H9F3INO2S/c10-9(11,12)5-14(1-2-15)8(16)6-3-7(13)17-4-6/h3-4,15H,1-2,5H2
InChIKeyZWSOJNNPIQYOIF-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 52.35
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 N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 79693695) is N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is O=C(c1csc(I)c1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is ZWSOJNNPIQYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3INO2S/c10-9(11,12)5-14(1-2-15)8(16)6-3-7(13)17-4-6/h3-4,15H,1-2,5H2.
What are the key properties of N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 379.14 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-iodo-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).