3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline

C25H21NOS — CID 20603544

IUPAC3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C/c1ccsc1
InChIInChI=1S/C25H21NOS/c1-27-25-18-24(15-14-21(25)13-12-20-16-17-28-19-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+
InChIKeyJIFVKGAGAVNCKY-OUKQBFOZSA-N
MW383.52 g/mol
LogP7.40
Rot. Bonds6

About 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline

3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline (PubChem CID 20603544) has the molecular formula C25H21NOS and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline.

Molecular Properties

Compound Name3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
PubChem CID20603544
Molecular FormulaC25H21NOS
Molecular Weight383.52 g/mol
Exact Mass383.13
IUPAC Name3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline
SMILESCOc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C/c1ccsc1
InChIInChI=1S/C25H21NOS/c1-27-25-18-24(15-14-21(25)13-12-20-16-17-28-19-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+
InChIKeyJIFVKGAGAVNCKY-OUKQBFOZSA-N
XLogP7.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline 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 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The IUPAC name of 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline (CID 20603544) is 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline.
What is the SMILES notation for 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The canonical SMILES for 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline is COc1cc(N(c2ccccc2)c2ccccc2)ccc1/C=C/c1ccsc1.
What is the InChIKey of 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
The InChIKey is JIFVKGAGAVNCKY-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H21NOS/c1-27-25-18-24(15-14-21(25)13-12-20-16-17-28-19-20)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-19H,1H3/b13-12+.
What are the key properties of 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline?
3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline has a molecular weight of 383.52 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-diphenyl-4-[(E)-2-thiophen-3-ylethenyl]aniline is sourced from PubChem (CID 20603544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).