4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C29H28N2O3S — CID 4248356

About 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 4248356) has the molecular formula C29H28N2O3S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 4248356
• Molecular Formula: C29H28N2O3S
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.18
• IUPAC Name: 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3cccs3)C4)c2)cc1
• InChI: InChI=1S/C29H28N2O3S/c1-29(2,3)22-11-9-19(10-12-22)27(32)30-23-7-4-6-20(16-23)25-17-21-18-31(14-13-24(21)34-25)28(33)26-8-5-15-35-26/h4-12,15-17H,13-14,18H2,1-3H3,(H,30,32)
• InChIKey: DSPKIJHCMGDSLI-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 4248356) is 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3cccs3)C4)c2)cc1.

What is the InChIKey of 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is DSPKIJHCMGDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3S/c1-29(2,3)22-11-9-19(10-12-22)27(32)30-23-7-4-6-20(16-23)25-17-21-18-31(14-13-24(21)34-25)28(33)26-8-5-15-35-26/h4-12,15-17H,13-14,18H2,1-3H3,(H,30,32).

What are the key properties of 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 484.62 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[5-(thiophene-2-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 4248356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).