(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide

C24H23N3O4S — CID 24655997

IUPAC(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1
InChIInChI=1S/C24H23N3O4S/c1-3-26(14-18-9-11-21-22(13-18)31-16-30-21)23(29)12-10-19-15-32-24(25-19)27(17(2)28)20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3/b12-10+
InChIKeyCMDXUJVOLSZNLU-ZRDIBKRKSA-N
MW449.53 g/mol
LogP4.62
Rot. Bonds7

About (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide

(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide (PubChem CID 24655997) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide
PubChem CID24655997
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1
InChIInChI=1S/C24H23N3O4S/c1-3-26(14-18-9-11-21-22(13-18)31-16-30-21)23(29)12-10-19-15-32-24(25-19)27(17(2)28)20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3/b12-10+
InChIKeyCMDXUJVOLSZNLU-ZRDIBKRKSA-N
XLogP4.62
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8858552
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-ethyl-N-phenylprop-2-enamide
CID 55363317
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 17443677
3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856850
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 29219581
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9227143
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 31274335
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46534299
N-[4-[(E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8856571
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
CID 9163338

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide?
The IUPAC name of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide (CID 24655997) is (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1.
What is the InChIKey of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide?
The InChIKey is CMDXUJVOLSZNLU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-26(14-18-9-11-21-22(13-18)31-16-30-21)23(29)12-10-19-15-32-24(25-19)27(17(2)28)20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3/b12-10+.
What are the key properties of (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide?
(E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide has a molecular weight of 449.53 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 24655997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).