N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide

C27H24N2O4S — CID 30751021

About N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 30751021) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide
• PubChem CID: 30751021
• Molecular Formula: C27H24N2O4S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.15
• IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide
• SMILES: Cc1c(NC(=O)c2occc2COc2ccccc2)cccc1C(=O)N1CCc2sccc2C1
• InChI: InChI=1S/C27H24N2O4S/c1-18-22(27(31)29-13-10-24-19(16-29)12-15-34-24)8-5-9-23(18)28-26(30)25-20(11-14-32-25)17-33-21-6-3-2-4-7-21/h2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,28,30)
• InChIKey: VUFCUOWHMCFCIY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 30751021) is N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide is Cc1c(NC(=O)c2occc2COc2ccccc2)cccc1C(=O)N1CCc2sccc2C1.

What is the InChIKey of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide?

The InChIKey is VUFCUOWHMCFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-18-22(27(31)29-13-10-24-19(16-29)12-15-34-24)8-5-9-23(18)28-26(30)25-20(11-14-32-25)17-33-21-6-3-2-4-7-21/h2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,28,30).

What are the key properties of N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide?

N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 30751021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).