[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone

C19H11F6NOS — CID 25263750

IUPAC[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C19H11F6NOS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)14-9-28-17(26)15(14)16(27)10-4-2-1-3-5-10/h1-9H,26H2
InChIKeyMNYYBZBLZUIVLS-UHFFFAOYSA-N
MW415.36 g/mol
LogP6.27
Rot. Bonds3

About [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone

[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone (PubChem CID 25263750) has the molecular formula C19H11F6NOS and a molecular weight of 415.36 g/mol. Its IUPAC name is [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
PubChem CID25263750
Molecular FormulaC19H11F6NOS
Molecular Weight415.36 g/mol
Exact Mass415.05
IUPAC Name[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
SMILESNc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1
InChIInChI=1S/C19H11F6NOS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)14-9-28-17(26)15(14)16(27)10-4-2-1-3-5-10/h1-9H,26H2
InChIKeyMNYYBZBLZUIVLS-UHFFFAOYSA-N
XLogP6.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.36
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone 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 [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone (CID 25263750) is [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone is Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
The InChIKey is MNYYBZBLZUIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NOS/c20-18(21,22)12-6-11(7-13(8-12)19(23,24)25)14-9-28-17(26)15(14)16(27)10-4-2-1-3-5-10/h1-9H,26H2.
What are the key properties of [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone?
[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone has a molecular weight of 415.36 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone is sourced from PubChem (CID 25263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).