N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide

C26H34N2S — CID 144794543

IUPACN'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESC=C(Cc1ccc(C)cc1)S/C=C(\C)Cc1cc(C)c(/N=C/N(C)CC)cc1C
InChIInChI=1S/C26H34N2S/c1-8-28(7)18-27-26-15-21(4)25(14-22(26)5)13-20(3)17-29-23(6)16-24-11-9-19(2)10-12-24/h9-12,14-15,17-18H,6,8,13,16H2,1-5,7H3/b20-17+,27-18+
InChIKeyVOYHRAHPHMIBOY-RSYXTFCQSA-N
MW406.64 g/mol
LogP7.16
Rot. Bonds9

About N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 144794543) has the molecular formula C26H34N2S and a molecular weight of 406.64 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID144794543
Molecular FormulaC26H34N2S
Molecular Weight406.64 g/mol
Exact Mass406.24
IUPAC NameN'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESC=C(Cc1ccc(C)cc1)S/C=C(\C)Cc1cc(C)c(/N=C/N(C)CC)cc1C
InChIInChI=1S/C26H34N2S/c1-8-28(7)18-27-26-15-21(4)25(14-22(26)5)13-20(3)17-29-23(6)16-24-11-9-19(2)10-12-24/h9-12,14-15,17-18H,6,8,13,16H2,1-5,7H3/b20-17+,27-18+
InChIKeyVOYHRAHPHMIBOY-RSYXTFCQSA-N
XLogP7.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 144794543) is N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide is C=C(Cc1ccc(C)cc1)S/C=C(\C)Cc1cc(C)c(/N=C/N(C)CC)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is VOYHRAHPHMIBOY-RSYXTFCQSA-N. The full InChI is InChI=1S/C26H34N2S/c1-8-28(7)18-27-26-15-21(4)25(14-22(26)5)13-20(3)17-29-23(6)16-24-11-9-19(2)10-12-24/h9-12,14-15,17-18H,6,8,13,16H2,1-5,7H3/b20-17+,27-18+.
What are the key properties of N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 406.64 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[(E)-2-methyl-3-[3-(4-methylphenyl)prop-1-en-2-ylsulfanyl]prop-2-enyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 144794543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).