(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide

C24H20N2OS — CID 7947698

IUPAC(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2OS/c1-2-18-12-15-20(16-13-18)26(23(27)17-14-19-8-4-3-5-9-19)24-25-21-10-6-7-11-22(21)28-24/h3-17H,2H2,1H3/b17-14+
InChIKeyABIOLHGYOPHAIR-SAPNQHFASA-N
MW384.50 g/mol
LogP6.24
Rot. Bonds5

About (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide

(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide (PubChem CID 7947698) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
PubChem CID7947698
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
SMILESCCc1ccc(N(C(=O)/C=C/c2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C24H20N2OS/c1-2-18-12-15-20(16-13-18)26(23(27)17-14-19-8-4-3-5-9-19)24-25-21-10-6-7-11-22(21)28-24/h3-17H,2H2,1H3/b17-14+
InChIKeyABIOLHGYOPHAIR-SAPNQHFASA-N
XLogP6.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-6-methylpyridine-3-carboxamide
CID 18276310
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1,4-dithiane-2-carboxamide
CID 112760795
(E)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-phenylprop-2-enamide
CID 7670126
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603331
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 112830366
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(4-ethylphenyl)acetamide
CID 24509156
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657044
(E)-N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide
CID 19211834
(E)-N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3-nitrophenyl)prop-2-enamide
CID 18193244

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide (CID 7947698) is (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide is CCc1ccc(N(C(=O)/C=C/c2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
The InChIKey is ABIOLHGYOPHAIR-SAPNQHFASA-N. The full InChI is InChI=1S/C24H20N2OS/c1-2-18-12-15-20(16-13-18)26(23(27)17-14-19-8-4-3-5-9-19)24-25-21-10-6-7-11-22(21)28-24/h3-17H,2H2,1H3/b17-14+.
What are the key properties of (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide?
(E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide has a molecular weight of 384.50 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7947698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).