ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate

C24H20N2O2S — CID 132520423

IUPACethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2S/c1-2-28-24(27)22-20(17-11-5-3-6-12-17)21(19-15-9-10-16-25-19)23(29-22)26-18-13-7-4-8-14-18/h3-16,26H,2H2,1H3
InChIKeyAAQVTIZLOROENU-UHFFFAOYSA-N
MW400.50 g/mol
LogP6.40
Rot. Bonds6

About ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate

ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate (PubChem CID 132520423) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
PubChem CID132520423
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Nameethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccccc2)c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C24H20N2O2S/c1-2-28-24(27)22-20(17-11-5-3-6-12-17)21(19-15-9-10-16-25-19)23(29-22)26-18-13-7-4-8-14-18/h3-16,26H,2H2,1H3
InChIKeyAAQVTIZLOROENU-UHFFFAOYSA-N
XLogP6.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-aminopyrimidin-4-yl)-2-anilino-4-phenylthiophene-3-carboxylate
CID 164628074
ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
CID 172762564
ethyl 2-anilino-4-methyl-5-(4-phenylbenzoyl)thiophene-3-carboxylate
CID 2324637
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 2-anilino-5-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-4-phenylthiophene-3-carboxylate
CID 164627768
2-O-ethyl 4-O-methyl 5-amino-3-phenylthiophene-2,4-dicarboxylate
CID 64891834
ethyl 4,7-dioxo-3-phenyl-1-benzothiophene-2-carboxylate
CID 11483776
diethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylthiophene-2,4-dicarboxylate
CID 126119034
ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate
CID 175940269
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 144727498

Frequently Asked Questions

What is the IUPAC name of ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate (CID 132520423) is ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate is CCOC(=O)c1sc(Nc2ccccc2)c(-c2ccccn2)c1-c1ccccc1.
What is the InChIKey of ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate?
The InChIKey is AAQVTIZLOROENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-2-28-24(27)22-20(17-11-5-3-6-12-17)21(19-15-9-10-16-25-19)23(29-22)26-18-13-7-4-8-14-18/h3-16,26H,2H2,1H3.
What are the key properties of ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate?
ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate has a molecular weight of 400.50 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 132520423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).