N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide

C23H17ClN2O2S — CID 16762602

IUPACN-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
SMILESCc1nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C23H17ClN2O2S/c1-13-17-19(26-22(28)16-11-7-4-8-12-16)21(20(27)15-9-5-3-6-10-15)29-23(17)25-14(2)18(13)24/h3-12H,1-2H3,(H,26,28)
InChIKeyCPOVUFXRKBTVHO-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.05
Rot. Bonds4

About N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide

N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide (PubChem CID 16762602) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
PubChem CID16762602
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC NameN-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
SMILESCc1nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C23H17ClN2O2S/c1-13-17-19(26-22(28)16-11-7-4-8-12-16)21(20(27)15-9-5-3-6-10-15)29-23(17)25-14(2)18(13)24/h3-12H,1-2H3,(H,26,28)
InChIKeyCPOVUFXRKBTVHO-UHFFFAOYSA-N
XLogP6.05
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide (CID 16762602) is N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide is Cc1nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl.
What is the InChIKey of N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide?
The InChIKey is CPOVUFXRKBTVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c1-13-17-19(26-22(28)16-11-7-4-8-12-16)21(20(27)15-9-5-3-6-10-15)29-23(17)25-14(2)18(13)24/h3-12H,1-2H3,(H,26,28).
What are the key properties of N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide?
N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide has a molecular weight of 420.92 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-chloro-4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 16762602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).