N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide

C33H34N2O2S — CID 45377322

About N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide

N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (PubChem CID 45377322) has the molecular formula C33H34N2O2S and a molecular weight of 522.71 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• PubChem CID: 45377322
• Molecular Formula: C33H34N2O2S
• Molecular Weight: 522.71 g/mol
• Exact Mass: 522.23
• IUPAC Name: N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
• SMILES: Cc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)NCCC(c2ccccc2)c2ccccc2)c1
• InChI: InChI=1S/C33H34N2O2S/c1-24-9-8-14-27(23-24)33-29-19-22-38-30(29)18-21-35(33)32(37)16-15-31(36)34-20-17-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,19,22-23,28,33H,15-18,20-21H2,1H3,(H,34,36)
• InChIKey: ZBXGJWQUWCOQLN-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.71
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The IUPAC name of N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide (CID 45377322) is N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is Cc1cccc(C2c3ccsc3CCN2C(=O)CCC(=O)NCCC(c2ccccc2)c2ccccc2)c1.

What is the InChIKey of N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

The InChIKey is ZBXGJWQUWCOQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2S/c1-24-9-8-14-27(23-24)33-29-19-22-38-30(29)18-21-35(33)32(37)16-15-31(36)34-20-17-28(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-14,19,22-23,28,33H,15-18,20-21H2,1H3,(H,34,36).

What are the key properties of N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide?

N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide has a molecular weight of 522.71 g/mol, XLogP of 6.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide is sourced from PubChem (CID 45377322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).