5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

C10H11F3N2O3S — CID 103726181

IUPAC5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-5(16)15-8-3-2-6(19-8)9(18)14-4-7(17)10(11,12)13/h2-3,7,17H,4H2,1H3,(H,14,18)(H,15,16)
InChIKeyZVDUHWXRSPZELE-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.36
Rot. Bonds4

About 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide

5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 103726181) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
PubChem CID103726181
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NCC(O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3N2O3S/c1-5(16)15-8-3-2-6(19-8)9(18)14-4-7(17)10(11,12)13/h2-3,7,17H,4H2,1H3,(H,14,18)(H,15,16)
InChIKeyZVDUHWXRSPZELE-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide (CID 103726181) is 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NCC(O)C(F)(F)F)s1.
What is the InChIKey of 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is ZVDUHWXRSPZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-5(16)15-8-3-2-6(19-8)9(18)14-4-7(17)10(11,12)13/h2-3,7,17H,4H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide?
5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 296.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 103726181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).