N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide

C23H16F3N3O2S — CID 68507820

IUPACN-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide
SMILESCN(Cc1ccc2nccnc2c1)C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C23H16F3N3O2S/c1-29(13-14-2-7-17-18(12-14)28-11-10-27-17)22(31)16-5-3-15(4-6-16)19-8-9-20(32-19)21(30)23(24,25)26/h2-12H,13H2,1H3
InChIKeyZFGQRQWUPHCUCU-UHFFFAOYSA-N
MW455.46 g/mol
LogP5.38
Rot. Bonds5

About N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide

N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide (PubChem CID 68507820) has the molecular formula C23H16F3N3O2S and a molecular weight of 455.46 g/mol. Its IUPAC name is N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide
PubChem CID68507820
Molecular FormulaC23H16F3N3O2S
Molecular Weight455.46 g/mol
Exact Mass455.09
IUPAC NameN-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide
SMILESCN(Cc1ccc2nccnc2c1)C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C23H16F3N3O2S/c1-29(13-14-2-7-17-18(12-14)28-11-10-27-17)22(31)16-5-3-15(4-6-16)19-8-9-20(32-19)21(30)23(24,25)26/h2-12H,13H2,1H3
InChIKeyZFGQRQWUPHCUCU-UHFFFAOYSA-N
XLogP5.38
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide 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-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide?
The IUPAC name of N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide (CID 68507820) is N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide is CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide?
The InChIKey is ZFGQRQWUPHCUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O2S/c1-29(13-14-2-7-17-18(12-14)28-11-10-27-17)22(31)16-5-3-15(4-6-16)19-8-9-20(32-19)21(30)23(24,25)26/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide?
N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide has a molecular weight of 455.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(quinoxalin-6-ylmethyl)-4-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 68507820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).