N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide

C34H24N2O3S — CID 3436300

IUPACN-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C34H24N2O3S/c1-39-28-20-12-11-19-25(28)33(38)36-30-29-26(22-13-5-2-6-14-22)21-27(23-15-7-3-8-16-23)35-34(29)40-32(30)31(37)24-17-9-4-10-18-24/h2-21H,1H3,(H,36,38)
InChIKeyXMQPEQNYCWPGKF-UHFFFAOYSA-N
MW540.64 g/mol
LogP8.12
Rot. Bonds7

About N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide

N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide (PubChem CID 3436300) has the molecular formula C34H24N2O3S and a molecular weight of 540.64 g/mol. Its IUPAC name is N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
PubChem CID3436300
Molecular FormulaC34H24N2O3S
Molecular Weight540.64 g/mol
Exact Mass540.15
IUPAC NameN-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C34H24N2O3S/c1-39-28-20-12-11-19-25(28)33(38)36-30-29-26(22-13-5-2-6-14-22)21-27(23-15-7-3-8-16-23)35-34(29)40-32(30)31(37)24-17-9-4-10-18-24/h2-21H,1H3,(H,36,38)
InChIKeyXMQPEQNYCWPGKF-UHFFFAOYSA-N
XLogP8.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide?
The IUPAC name of N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide (CID 3436300) is N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide?
The InChIKey is XMQPEQNYCWPGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O3S/c1-39-28-20-12-11-19-25(28)33(38)36-30-29-26(22-13-5-2-6-14-22)21-27(23-15-7-3-8-16-23)35-34(29)40-32(30)31(37)24-17-9-4-10-18-24/h2-21H,1H3,(H,36,38).
What are the key properties of N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide?
N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide has a molecular weight of 540.64 g/mol, XLogP of 8.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide is sourced from PubChem (CID 3436300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).