ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate

C26H23NO6S — CID 23939473

IUPACethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)sc(C)c1C
InChIInChI=1S/C26H23NO6S/c1-4-31-26(30)23-15(2)16(3)34-25(23)27-22(28)14-32-18-10-11-19-21(12-18)33-13-20(24(19)29)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,27,28)
InChIKeyHJVRGZNCWFYWRT-UHFFFAOYSA-N
MW477.54 g/mol
LogP5.33
Rot. Bonds7

About ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate (PubChem CID 23939473) has the molecular formula C26H23NO6S and a molecular weight of 477.54 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
PubChem CID23939473
Molecular FormulaC26H23NO6S
Molecular Weight477.54 g/mol
Exact Mass477.12
IUPAC Nameethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)sc(C)c1C
InChIInChI=1S/C26H23NO6S/c1-4-31-26(30)23-15(2)16(3)34-25(23)27-22(28)14-32-18-10-11-19-21(12-18)33-13-20(24(19)29)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,27,28)
InChIKeyHJVRGZNCWFYWRT-UHFFFAOYSA-N
XLogP5.33
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)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-[[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 23852793
ethyl 2-[[2-[3-(2-chlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 23770087
ethyl 2-[[2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23989788
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 5071821
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 163082505
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
ethyl 2-[[2-[3-(2,4-dichlorophenyl)-4-oxochromen-7-yl]oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23792979
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate (CID 23939473) is ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate?
The InChIKey is HJVRGZNCWFYWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO6S/c1-4-31-26(30)23-15(2)16(3)34-25(23)27-22(28)14-32-18-10-11-19-21(12-18)33-13-20(24(19)29)17-8-6-5-7-9-17/h5-13H,4,14H2,1-3H3,(H,27,28).
What are the key properties of ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate has a molecular weight of 477.54 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 23939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).