ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate

C22H17Cl2NO6S — CID 2440794

IUPACethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C22H17Cl2NO6S/c1-2-29-22(28)21-17(11-18(32-21)15-7-5-13(23)10-16(15)24)25-19(26)12-31-20(27)8-6-14-4-3-9-30-14/h3-11H,2,12H2,1H3,(H,25,26)/b8-6+
InChIKeyUFEINIMNWWAKGL-SOFGYWHQSA-N
MW494.35 g/mol
LogP5.69
Rot. Bonds8

About ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate

ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate (PubChem CID 2440794) has the molecular formula C22H17Cl2NO6S and a molecular weight of 494.35 g/mol. Its IUPAC name is ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate
PubChem CID2440794
Molecular FormulaC22H17Cl2NO6S
Molecular Weight494.35 g/mol
Exact Mass493.02
IUPAC Nameethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)COC(=O)/C=C/c1ccco1
InChIInChI=1S/C22H17Cl2NO6S/c1-2-29-22(28)21-17(11-18(32-21)15-7-5-13(23)10-16(15)24)25-19(26)12-31-20(27)8-6-14-4-3-9-30-14/h3-11H,2,12H2,1H3,(H,25,26)/b8-6+
InChIKeyUFEINIMNWWAKGL-SOFGYWHQSA-N
XLogP5.69
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate 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

ethyl 5-(4-bromophenyl)-3-[[2-[3-(furan-2-yl)prop-2-enoyloxy]acetyl]amino]thiophene-2-carboxylate
CID 3915508
diethyl 5-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 6154140
ethyl 5-ethyl-2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7852209
ethyl 4-ethyl-2-[[2-[3-(furan-2-yl)prop-2-enoyloxy]acetyl]amino]-5-methylthiophene-3-carboxylate
CID 5216936
ethyl 2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 6277389
methyl 2-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2506277
ethyl 3-[[2-[(E)-but-2-enoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate
CID 7698941
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5131929
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3486784
[2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2506694
ethyl 3-[(2-acetyloxyacetyl)amino]-5-(4-chlorophenyl)thiophene-2-carboxylate
CID 4857796
[2-oxo-2-(2-phenylanilino)ethyl] 3-(furan-2-yl)prop-2-enoate
CID 4604786

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate (CID 2440794) is ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccc(Cl)cc2Cl)cc1NC(=O)COC(=O)/C=C/c1ccco1.
What is the InChIKey of ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate?
The InChIKey is UFEINIMNWWAKGL-SOFGYWHQSA-N. The full InChI is InChI=1S/C22H17Cl2NO6S/c1-2-29-22(28)21-17(11-18(32-21)15-7-5-13(23)10-16(15)24)25-19(26)12-31-20(27)8-6-14-4-3-9-30-14/h3-11H,2,12H2,1H3,(H,25,26)/b8-6+.
What are the key properties of ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate?
ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate has a molecular weight of 494.35 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-dichlorophenyl)-3-[[2-[(E)-3-(furan-2-yl)prop-2-enoyl]oxyacetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 2440794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).