N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide

C14H12F3N3O2S — CID 3148162

IUPACN-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide
SMILESC=CCNC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2S/c1-2-5-18-12(21)8-22-13-19-9(10-4-3-6-23-10)7-11(20-13)14(15,16)17/h2-4,6-7H,1,5,8H2,(H,18,21)
InChIKeyJVCLNUBXZTWXMW-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.90
Rot. Bonds6

About N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide

N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide (PubChem CID 3148162) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide
PubChem CID3148162
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC NameN-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide
SMILESC=CCNC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2S/c1-2-5-18-12(21)8-22-13-19-9(10-4-3-6-23-10)7-11(20-13)14(15,16)17/h2-4,6-7H,1,5,8H2,(H,18,21)
InChIKeyJVCLNUBXZTWXMW-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide 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-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide?
The IUPAC name of N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide (CID 3148162) is N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide is C=CCNC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide?
The InChIKey is JVCLNUBXZTWXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-2-5-18-12(21)8-22-13-19-9(10-4-3-6-23-10)7-11(20-13)14(15,16)17/h2-4,6-7H,1,5,8H2,(H,18,21).
What are the key properties of N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide?
N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide has a molecular weight of 343.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxyacetamide is sourced from PubChem (CID 3148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).