ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate

C25H23ClN2O5S — CID 46376064

IUPACethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc2c(OCc3nc(-c4ccccc4Cl)oc3C)c(C)ccc12
InChIInChI=1S/C25H23ClN2O5S/c1-5-31-25(30)20-17-11-10-13(2)21(22(17)34-24(20)27-15(4)29)32-12-19-14(3)33-23(28-19)16-8-6-7-9-18(16)26/h6-11H,5,12H2,1-4H3,(H,27,29)
InChIKeyKNGNLEFOAVLFHV-UHFFFAOYSA-N
MW498.99 g/mol
LogP6.54
Rot. Bonds7

About ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate

ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate (PubChem CID 46376064) has the molecular formula C25H23ClN2O5S and a molecular weight of 498.99 g/mol. Its IUPAC name is ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate
PubChem CID46376064
Molecular FormulaC25H23ClN2O5S
Molecular Weight498.99 g/mol
Exact Mass498.10
IUPAC Nameethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc2c(OCc3nc(-c4ccccc4Cl)oc3C)c(C)ccc12
InChIInChI=1S/C25H23ClN2O5S/c1-5-31-25(30)20-17-11-10-13(2)21(22(17)34-24(20)27-15(4)29)32-12-19-14(3)33-23(28-19)16-8-6-7-9-18(16)26/h6-11H,5,12H2,1-4H3,(H,27,29)
InChIKeyKNGNLEFOAVLFHV-UHFFFAOYSA-N
XLogP6.54
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.99
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-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 6-methyl-7-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy]-2-(propanoylamino)-1-benzothiophene-3-carboxylate
CID 46376040
ethyl 2-acetamido-7-[[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate
CID 46376112
ethyl 2-acetamido-7-[2-(2-chloroanilino)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
CID 46376091
ethyl 2-acetamido-7-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
CID 46376074
ethyl 2-acetamido-4-(2-chlorophenyl)thiophene-3-carboxylate
CID 2354399
ethyl 2-acetamido-6-bromo-7-[(2,5-dimethylphenyl)methoxy]-1-benzothiophene-3-carboxylate
CID 46376122
ethyl 2-acetamido-7-[2-(3-fluoroanilino)-2-oxoethoxy]-6-methyl-1-benzothiophene-3-carboxylate
CID 46376077
ethyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazole-4-carboxylate
CID 56749713
2-amino-4-[2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407330
ethyl 2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4550490
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
methyl 1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-4-carboxylate
CID 56739922

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate (CID 46376064) is ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate is CCOC(=O)c1c(NC(C)=O)sc2c(OCc3nc(-c4ccccc4Cl)oc3C)c(C)ccc12.
What is the InChIKey of ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate?
The InChIKey is KNGNLEFOAVLFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O5S/c1-5-31-25(30)20-17-11-10-13(2)21(22(17)34-24(20)27-15(4)29)32-12-19-14(3)33-23(28-19)16-8-6-7-9-18(16)26/h6-11H,5,12H2,1-4H3,(H,27,29).
What are the key properties of ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate?
ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate has a molecular weight of 498.99 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-7-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-6-methyl-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 46376064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).