2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline

C17H20N2S — CID 144718475

IUPAC2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=C(Nc1ccccc1)c1ccccc1NS(=C)CC
InChIInChI=1S/C17H20N2S/c1-4-20(3)19-17-13-9-8-12-16(17)14(2)18-15-10-6-5-7-11-15/h5-13,18-19H,2-4H2,1H3
InChIKeyBOILFCOQXVGEIR-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.82
Rot. Bonds6

About 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline

2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline (PubChem CID 144718475) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline.

Molecular Properties

Compound Name2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline
PubChem CID144718475
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline
SMILESC=C(Nc1ccccc1)c1ccccc1NS(=C)CC
InChIInChI=1S/C17H20N2S/c1-4-20(3)19-17-13-9-8-12-16(17)14(2)18-15-10-6-5-7-11-15/h5-13,18-19H,2-4H2,1H3
InChIKeyBOILFCOQXVGEIR-UHFFFAOYSA-N
XLogP4.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
2-(1-anilinoethenylamino)-N-methylbenzamide
CID 59846622
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
3-ethylsulfinyl-N-phenylpropanamide
CID 143299200
1-N,1-N-diethyl-2-N-phenylprop-2-ene-1,2-diamine
CID 142010707
1-methyl-3-phenylurea;propane
CID 142949663
2-but-1-en-2-yl-N-ethenylaniline
CID 174359316
N-(3-methylbut-1-en-2-yl)aniline
CID 135251792
N-(3,3-dimethylbut-1-en-2-yl)aniline
CID 102590212

Frequently Asked Questions

What is the IUPAC name of 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline?
The IUPAC name of 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline (CID 144718475) is 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline.
What is the SMILES notation for 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline?
The canonical SMILES for 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline is C=C(Nc1ccccc1)c1ccccc1NS(=C)CC.
What is the InChIKey of 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline?
The InChIKey is BOILFCOQXVGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-4-20(3)19-17-13-9-8-12-16(17)14(2)18-15-10-6-5-7-11-15/h5-13,18-19H,2-4H2,1H3.
What are the key properties of 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline?
2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline has a molecular weight of 284.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-anilinoethenyl)-N-[ethyl(methylidene)-λ4-sulfanyl]aniline is sourced from PubChem (CID 144718475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).