3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide

C24H28N2S — CID 145460589

IUPAC3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide
SMILESC=C(C)C(/N=C(\C)N)(c1ccccc1)c1ccccc1.CCc1ccsc1
InChIInChI=1S/C18H20N2.C6H8S/c1-14(2)18(20-15(3)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-2-6-3-4-7-5-6/h4-13H,1H2,2-3H3,(H2,19,20);3-5H,2H2,1H3
InChIKeyODCVQXCAWJAWLR-UHFFFAOYSA-N
MW376.57 g/mol
LogP6.19
Rot. Bonds5

About 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide

3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide (PubChem CID 145460589) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide.

Molecular Properties

Compound Name3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide
PubChem CID145460589
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide
SMILESC=C(C)C(/N=C(\C)N)(c1ccccc1)c1ccccc1.CCc1ccsc1
InChIInChI=1S/C18H20N2.C6H8S/c1-14(2)18(20-15(3)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-2-6-3-4-7-5-6/h4-13H,1H2,2-3H3,(H2,19,20);3-5H,2H2,1H3
InChIKeyODCVQXCAWJAWLR-UHFFFAOYSA-N
XLogP6.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-1-(3-ethylphenyl)ethenamine;ethene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide
CID 145460555
2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
CID 118926035
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
1-phenyl-1-thiophen-3-ylpropan-1-amine
CID 65100038
N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
1-chloro-2-phenyl-N-(thiophen-3-ylmethyl)propan-2-amine
CID 105059415
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
CID 174712289
2-methyl-3-phenylpent-1-en-3-ol
CID 79189457

Frequently Asked Questions

What is the IUPAC name of 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide?
The IUPAC name of 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide (CID 145460589) is 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide.
What is the SMILES notation for 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide?
The canonical SMILES for 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide is C=C(C)C(/N=C(\C)N)(c1ccccc1)c1ccccc1.CCc1ccsc1.
What is the InChIKey of 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide?
The InChIKey is ODCVQXCAWJAWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C6H8S/c1-14(2)18(20-15(3)19,16-10-6-4-7-11-16)17-12-8-5-9-13-17;1-2-6-3-4-7-5-6/h4-13H,1H2,2-3H3,(H2,19,20);3-5H,2H2,1H3.
What are the key properties of 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide?
3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide has a molecular weight of 376.57 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide is sourced from PubChem (CID 145460589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).