N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C12H12F3NO3S — CID 67316039

IUPACN-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H12F3NO3S/c13-12(14,15)10(17)8-3-4-9(20-8)11(18)16-6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyFQQWUUBZSMBVCB-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.40
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 67316039) has the molecular formula C12H12F3NO3S and a molecular weight of 307.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID67316039
Molecular FormulaC12H12F3NO3S
Molecular Weight307.29 g/mol
Exact Mass307.05
IUPAC NameN-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C12H12F3NO3S/c13-12(14,15)10(17)8-3-4-9(20-8)11(18)16-6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,16,18)
InChIKeyFQQWUUBZSMBVCB-UHFFFAOYSA-N
XLogP2.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 67316039) is N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCC1CCCO1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is FQQWUUBZSMBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3S/c13-12(14,15)10(17)8-3-4-9(20-8)11(18)16-6-7-2-1-5-19-7/h3-4,7H,1-2,5-6H2,(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 307.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 67316039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).