5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H24ClN3O3S — CID 5302633

IUPAC5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C26H24ClN3O3S/c1-5-16-10-12-17(13-11-16)29-25(32)23-22(20-14(2)21(27)15(3)28-26(20)34-23)30-24(31)18-8-6-7-9-19(18)33-4/h6-13H,5H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyIYTAGIWETLPHJT-UHFFFAOYSA-N
MW494.02 g/mol
LogP6.64
Rot. Bonds6

About 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5302633) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID5302633
Molecular FormulaC26H24ClN3O3S
Molecular Weight494.02 g/mol
Exact Mass493.12
IUPAC Name5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C26H24ClN3O3S/c1-5-16-10-12-17(13-11-16)29-25(32)23-22(20-14(2)21(27)15(3)28-26(20)34-23)30-24(31)18-8-6-7-9-19(18)33-4/h6-13H,5H2,1-4H3,(H,29,32)(H,30,31)
InChIKeyIYTAGIWETLPHJT-UHFFFAOYSA-N
XLogP6.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 5302633) is 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is CCc1ccc(NC(=O)c2sc3nc(C)c(Cl)c(C)c3c2NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IYTAGIWETLPHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c1-5-16-10-12-17(13-11-16)29-25(32)23-22(20-14(2)21(27)15(3)28-26(20)34-23)30-24(31)18-8-6-7-9-19(18)33-4/h6-13H,5H2,1-4H3,(H,29,32)(H,30,31).
What are the key properties of 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 494.02 g/mol, XLogP of 6.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5302633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).