(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine

C29H34N2O2S — CID 143493260

IUPAC(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C(/C=C/c1ccc(OC)cc1)\C=C(/NC)SC/C=C(\C=C/N)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C29H34N2O2S/c1-5-23(6-7-24-10-14-27(32-3)15-11-24)22-29(31-2)34-21-19-26(18-20-30)9-8-25-12-16-28(33-4)17-13-25/h5-20,22,31H,21,30H2,1-4H3/b7-6+,9-8+,20-18-,23-5-,26-19-,29-22+
InChIKeyLDVPGMPIDAFROZ-DPQWDWQHSA-N
MW474.67 g/mol
LogP6.57
Rot. Bonds12

About (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine

(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine (PubChem CID 143493260) has the molecular formula C29H34N2O2S and a molecular weight of 474.67 g/mol. Its IUPAC name is (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine
PubChem CID143493260
Molecular FormulaC29H34N2O2S
Molecular Weight474.67 g/mol
Exact Mass474.23
IUPAC Name(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C(/C=C/c1ccc(OC)cc1)\C=C(/NC)SC/C=C(\C=C/N)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C29H34N2O2S/c1-5-23(6-7-24-10-14-27(32-3)15-11-24)22-29(31-2)34-21-19-26(18-20-30)9-8-25-12-16-28(33-4)17-13-25/h5-20,22,31H,21,30H2,1-4H3/b7-6+,9-8+,20-18-,23-5-,26-19-,29-22+
InChIKeyLDVPGMPIDAFROZ-DPQWDWQHSA-N
XLogP6.57
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine (CID 143493260) is (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine is C/C=C(/C=C/c1ccc(OC)cc1)\C=C(/NC)SC/C=C(\C=C/N)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine?
The InChIKey is LDVPGMPIDAFROZ-DPQWDWQHSA-N. The full InChI is InChI=1S/C29H34N2O2S/c1-5-23(6-7-24-10-14-27(32-3)15-11-24)22-29(31-2)34-21-19-26(18-20-30)9-8-25-12-16-28(33-4)17-13-25/h5-20,22,31H,21,30H2,1-4H3/b7-6+,9-8+,20-18-,23-5-,26-19-,29-22+.
What are the key properties of (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine?
(1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine has a molecular weight of 474.67 g/mol, XLogP of 6.57, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-[(2Z,4E)-3-[(Z)-2-aminoethenyl]-5-(4-methoxyphenyl)penta-2,4-dienyl]sulfanyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143493260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).