N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C25H23N3O2S — CID 55762637

About N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 55762637) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
• PubChem CID: 55762637
• Molecular Formula: C25H23N3O2S
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.15
• IUPAC Name: N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
• SMILES: C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCc2sccc2C1
• InChI: InChI=1S/C25H23N3O2S/c1-17-19-6-2-3-7-20(19)25(30)28(17)14-11-24(29)26-21-8-4-5-9-22(21)27-13-10-23-18(16-27)12-15-31-23/h2-9,12,15H,1,10-11,13-14,16H2,(H,26,29)
• InChIKey: DTGYYQBNUDIHKE-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?

The IUPAC name of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 55762637) is N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

What is the SMILES notation for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?

The canonical SMILES for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCc2sccc2C1.

What is the InChIKey of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?

The InChIKey is DTGYYQBNUDIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-17-19-6-2-3-7-20(19)25(30)28(17)14-11-24(29)26-21-8-4-5-9-22(21)27-13-10-23-18(16-27)12-15-31-23/h2-9,12,15H,1,10-11,13-14,16H2,(H,26,29).

What are the key properties of N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 429.55 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55762637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).