ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate

C19H16N2O3S — CID 46388667

IUPACethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)13-7-9-14(10-8-13)21-18(22)15-5-3-11-20-17(15)16-6-4-12-25-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyPOJKSSXIUNBEHW-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.24
Rot. Bonds5

About ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate

ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate (PubChem CID 46388667) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
PubChem CID46388667
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nameethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccnc2-c2cccs2)cc1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)13-7-9-14(10-8-13)21-18(22)15-5-3-11-20-17(15)16-6-4-12-25-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyPOJKSSXIUNBEHW-UHFFFAOYSA-N
XLogP4.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate (CID 46388667) is ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccnc2-c2cccs2)cc1.
What is the InChIKey of ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is POJKSSXIUNBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-24-19(23)13-7-9-14(10-8-13)21-18(22)15-5-3-11-20-17(15)16-6-4-12-25-16/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate?
ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 352.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-thiophen-2-ylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 46388667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).