ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate

C23H20ClNO6S — CID 23761318

IUPACethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)C(O)c1ccccc1
InChIInChI=1S/C23H20ClNO6S/c1-2-30-22(28)19-16(15-10-6-7-11-17(15)24)13-32-21(19)25-18(26)12-31-23(29)20(27)14-8-4-3-5-9-14/h3-11,13,20,27H,2,12H2,1H3,(H,25,26)
InChIKeyHLPRHMVPURYDJB-UHFFFAOYSA-N
MW473.93 g/mol
LogP4.46
Rot. Bonds8

About ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 23761318) has the molecular formula C23H20ClNO6S and a molecular weight of 473.93 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID23761318
Molecular FormulaC23H20ClNO6S
Molecular Weight473.93 g/mol
Exact Mass473.07
IUPAC Nameethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)C(O)c1ccccc1
InChIInChI=1S/C23H20ClNO6S/c1-2-30-22(28)19-16(15-10-6-7-11-17(15)24)13-32-21(19)25-18(26)12-31-23(29)20(27)14-8-4-3-5-9-14/h3-11,13,20,27H,2,12H2,1H3,(H,25,26)
InChIKeyHLPRHMVPURYDJB-UHFFFAOYSA-N
XLogP4.46
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-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 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2354399
[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] furan-3-carboxylate
CID 46649168
ethyl 4-(2-chlorophenyl)-2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 23770991
ethyl 2-[[2-[(2R)-2-hydroxy-2-phenylacetyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7821473
[2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031853
ethyl 2-[[2-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]oxyacetyl]amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2448230
ethyl 2-[[2-(2,3-dichlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2382749
ethyl 4-(2-chlorophenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 18231326
ethyl 2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-4-phenylthiophene-3-carboxylate
CID 8709597
ethyl 2-[(2-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 2807643
ethyl 4-(2-chlorophenyl)-2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 23903486
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate (CID 23761318) is ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)COC(=O)C(O)c1ccccc1.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is HLPRHMVPURYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO6S/c1-2-30-22(28)19-16(15-10-6-7-11-17(15)24)13-32-21(19)25-18(26)12-31-23(29)20(27)14-8-4-3-5-9-14/h3-11,13,20,27H,2,12H2,1H3,(H,25,26).
What are the key properties of ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 473.93 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-[[2-(2-hydroxy-2-phenylacetyl)oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 23761318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).