(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile

C24H26N2S2 — CID 153371579

IUPAC(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile
SMILESCCCN(CCC)c1ccc2cc(-c3ccc(/C=C(\C#N)SC)s3)ccc2c1
InChIInChI=1S/C24H26N2S2/c1-4-12-26(13-5-2)21-9-8-18-14-20(7-6-19(18)15-21)24-11-10-22(28-24)16-23(17-25)27-3/h6-11,14-16H,4-5,12-13H2,1-3H3/b23-16+
InChIKeyGAZIVSBHQDLTQV-XQNSMLJCSA-N
MW406.62 g/mol
LogP7.42
Rot. Bonds8

About (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile

(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile (PubChem CID 153371579) has the molecular formula C24H26N2S2 and a molecular weight of 406.62 g/mol. Its IUPAC name is (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile
PubChem CID153371579
Molecular FormulaC24H26N2S2
Molecular Weight406.62 g/mol
Exact Mass406.15
IUPAC Name(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile
SMILESCCCN(CCC)c1ccc2cc(-c3ccc(/C=C(\C#N)SC)s3)ccc2c1
InChIInChI=1S/C24H26N2S2/c1-4-12-26(13-5-2)21-9-8-18-14-20(7-6-19(18)15-21)24-11-10-22(28-24)16-23(17-25)27-3/h6-11,14-16H,4-5,12-13H2,1-3H3/b23-16+
InChIKeyGAZIVSBHQDLTQV-XQNSMLJCSA-N
XLogP7.42
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-N-(2,3-dihydroxypropyl)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 118400989
2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 123825146
(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]thiophen-2-yl]-N-(2,3-dihydroxypropyl)prop-2-enamide
CID 118400972
(Z)-2-[amino(cyclobutylidene)methyl]-3-[5-[6-(dimethylamino)naphthalen-2-yl]thiophen-2-yl]prop-2-enenitrile
CID 153371534
(E)-1-cyano-2-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-N-[(2R,3S,4R)-2,3,4-trihydroxyhexyl]prop-1-ene-1-sulfonamide
CID 166874184
(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]furan-2-yl]-2-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]sulfanylprop-2-enenitrile
CID 144928215
(E)-2-cyano-3-[5-[6-(diethylamino)naphthalen-2-yl]thiophen-2-yl]-N-[[(2R,3S,4R,5R)-3,4,6-trihydroxy-5-methyloxan-2-yl]methyl]prop-2-enamide
CID 122682891
(E)-2-aminosulfanyl-3-[4-(dipropylamino)phenyl]prop-2-enenitrile
CID 145041393
2-[[5-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 137477240
(E)-2-cyano-3-[5-[4-[2-(diethylamino)-4-(N-naphthalen-2-ylanilino)phenyl]-3-methylphenyl]thiophen-2-yl]prop-2-enoic acid
CID 118336793
2-cyano-3-[5-[4-[7-(diethylamino)-2-oxochromen-3-yl]phenyl]thiophen-2-yl]prop-2-enoic acid
CID 141355021
(E)-2-cyano-3-[5-[4-(dimethylamino)phenyl]thiophen-2-yl]prop-2-enoic acid
CID 71276286

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile?
The IUPAC name of (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile (CID 153371579) is (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile?
The canonical SMILES for (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile is CCCN(CCC)c1ccc2cc(-c3ccc(/C=C(\C#N)SC)s3)ccc2c1.
What is the InChIKey of (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile?
The InChIKey is GAZIVSBHQDLTQV-XQNSMLJCSA-N. The full InChI is InChI=1S/C24H26N2S2/c1-4-12-26(13-5-2)21-9-8-18-14-20(7-6-19(18)15-21)24-11-10-22(28-24)16-23(17-25)27-3/h6-11,14-16H,4-5,12-13H2,1-3H3/b23-16+.
What are the key properties of (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile?
(E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile has a molecular weight of 406.62 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[6-(dipropylamino)naphthalen-2-yl]thiophen-2-yl]-2-methylsulfanylprop-2-enenitrile is sourced from PubChem (CID 153371579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).