[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone

C28H18Cl2N2OS — CID 10864030

About [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone

[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone (PubChem CID 10864030) has the molecular formula C28H18Cl2N2OS and a molecular weight of 501.44 g/mol. Its IUPAC name is [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
• PubChem CID: 10864030
• Molecular Formula: C28H18Cl2N2OS
• Molecular Weight: 501.44 g/mol
• Exact Mass: 500.05
• IUPAC Name: [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
• SMILES: Nc1c(C(=O)c2ccccc2)sc2nc(/C=C/c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12
• InChI: InChI=1S/C28H18Cl2N2OS/c29-20-11-6-17(7-12-20)8-15-22-16-23(18-9-13-21(30)14-10-18)24-25(31)27(34-28(24)32-22)26(33)19-4-2-1-3-5-19/h1-16H,31H2/b15-8+
• InChIKey: KUTSOOLJZHXOKM-OVCLIPMQSA-N
• XLogP: 8.25
• TPSA: 55.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.44
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone?

The IUPAC name of [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone (CID 10864030) is [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone.

What is the SMILES notation for [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone?

The canonical SMILES for [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc2nc(/C=C/c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c12.

What is the InChIKey of [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone?

The InChIKey is KUTSOOLJZHXOKM-OVCLIPMQSA-N. The full InChI is InChI=1S/C28H18Cl2N2OS/c29-20-11-6-17(7-12-20)8-15-22-16-23(18-9-13-21(30)14-10-18)24-25(31)27(34-28(24)32-22)26(33)19-4-2-1-3-5-19/h1-16H,31H2/b15-8+.

What are the key properties of [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone?

[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone has a molecular weight of 501.44 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone is sourced from PubChem (CID 10864030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).