2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline

C23H19NS — CID 139257344

IUPAC2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline
SMILESC=Cc1cc2ccccc2c(-c2ccsc2)c1-c1ccccc1NC
InChIInChI=1S/C23H19NS/c1-3-16-14-17-8-4-5-9-19(17)23(18-12-13-25-15-18)22(16)20-10-6-7-11-21(20)24-2/h3-15,24H,1H2,2H3
InChIKeyZYFSXADJQADOMX-UHFFFAOYSA-N
MW341.48 g/mol
LogP6.92
Rot. Bonds4

About 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline

2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline (PubChem CID 139257344) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline
PubChem CID139257344
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC Name2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline
SMILESC=Cc1cc2ccccc2c(-c2ccsc2)c1-c1ccccc1NC
InChIInChI=1S/C23H19NS/c1-3-16-14-17-8-4-5-9-19(17)23(18-12-13-25-15-18)22(16)20-10-6-7-11-21(20)24-2/h3-15,24H,1H2,2H3
InChIKeyZYFSXADJQADOMX-UHFFFAOYSA-N
XLogP6.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline?
The IUPAC name of 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline (CID 139257344) is 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline?
The canonical SMILES for 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline is C=Cc1cc2ccccc2c(-c2ccsc2)c1-c1ccccc1NC.
What is the InChIKey of 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline?
The InChIKey is ZYFSXADJQADOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NS/c1-3-16-14-17-8-4-5-9-19(17)23(18-12-13-25-15-18)22(16)20-10-6-7-11-21(20)24-2/h3-15,24H,1H2,2H3.
What are the key properties of 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline?
2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline has a molecular weight of 341.48 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-1-thiophen-3-ylnaphthalen-2-yl)-N-methylaniline is sourced from PubChem (CID 139257344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).