ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate

C21H19NO5S — CID 2386061

IUPACethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)c2cccc(OC)c2)csc1Nc1ccccc1
InChIInChI=1S/C21H19NO5S/c1-3-26-21(24)18-17(13-28-19(18)22-15-9-5-4-6-10-15)27-20(23)14-8-7-11-16(12-14)25-2/h4-13,22H,3H2,1-2H3
InChIKeyVDTNZMDAIKMQTG-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.90
Rot. Bonds7

About ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate

ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate (PubChem CID 2386061) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate
PubChem CID2386061
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Nameethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate
SMILESCCOC(=O)c1c(OC(=O)c2cccc(OC)c2)csc1Nc1ccccc1
InChIInChI=1S/C21H19NO5S/c1-3-26-21(24)18-17(13-28-19(18)22-15-9-5-4-6-10-15)27-20(23)14-8-7-11-16(12-14)25-2/h4-13,22H,3H2,1-2H3
InChIKeyVDTNZMDAIKMQTG-UHFFFAOYSA-N
XLogP4.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
(2-ethoxyphenyl) 3-methoxybenzoate
CID 19184767
ethyl 5-(3-methoxybenzoyl)oxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 4677422
ethyl 3-[(3-methoxyphenyl)carbamothioylamino]benzoate
CID 19687779
ethyl 2-[[2-(3-carbamoylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 46480324
ethyl 5-(benzylcarbamoyl)-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 17065063
phenyl 3-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 20565565
methyl 2-[(3-ethoxycarbonylphenyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 175896622
3-ethoxycarbonyl-4-(3-methoxyphenyl)pent-3-enoic acid
CID 3577559
[2-(2-oxopropoxy)phenyl] 3-methoxybenzoate
CID 51055617
ethyl 3-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzoate
CID 17226184
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 28693599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate?
The IUPAC name of ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate (CID 2386061) is ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate is CCOC(=O)c1c(OC(=O)c2cccc(OC)c2)csc1Nc1ccccc1.
What is the InChIKey of ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate?
The InChIKey is VDTNZMDAIKMQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-3-26-21(24)18-17(13-28-19(18)22-15-9-5-4-6-10-15)27-20(23)14-8-7-11-16(12-14)25-2/h4-13,22H,3H2,1-2H3.
What are the key properties of ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate?
ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-(3-methoxybenzoyl)oxythiophene-3-carboxylate is sourced from PubChem (CID 2386061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).