2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one

C21H16N2O2S — CID 67531139

IUPAC2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3c(C(=O)c4ccccc4)c(N)sc32)cc1
InChIInChI=1S/C21H16N2O2S/c1-13-7-9-15(10-8-13)23-17(24)12-11-16-18(20(22)26-21(16)23)19(25)14-5-3-2-4-6-14/h2-12H,22H2,1H3
InChIKeyUMETVZGRQZUQBK-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.17
Rot. Bonds3

About 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one

2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one (PubChem CID 67531139) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
PubChem CID67531139
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3c(C(=O)c4ccccc4)c(N)sc32)cc1
InChIInChI=1S/C21H16N2O2S/c1-13-7-9-15(10-8-13)23-17(24)12-11-16-18(20(22)26-21(16)23)19(25)14-5-3-2-4-6-14/h2-12H,22H2,1H3
InChIKeyUMETVZGRQZUQBK-UHFFFAOYSA-N
XLogP4.17
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one (CID 67531139) is 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one is Cc1ccc(-n2c(=O)ccc3c(C(=O)c4ccccc4)c(N)sc32)cc1.
What is the InChIKey of 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The InChIKey is UMETVZGRQZUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-13-7-9-15(10-8-13)23-17(24)12-11-16-18(20(22)26-21(16)23)19(25)14-5-3-2-4-6-14/h2-12H,22H2,1H3.
What are the key properties of 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one has a molecular weight of 360.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 67531139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).