N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide

C28H34N2O5S — CID 93167252

About N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide

N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide (PubChem CID 93167252) has the molecular formula C28H34N2O5S and a molecular weight of 510.66 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
• PubChem CID: 93167252
• Molecular Formula: C28H34N2O5S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.22
• IUPAC Name: N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide
• SMILES: COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccco1
• InChI: InChI=1S/C28H34N2O5S/c1-20(2)21-7-9-22(10-8-21)35-19-24-23-12-17-36-26(23)11-14-30(24)27(31)18-29(13-5-15-33-3)28(32)25-6-4-16-34-25/h4,6-10,12,16-17,20,24H,5,11,13-15,18-19H2,1-3H3/t24-/m0/s1
• InChIKey: ZGAREXYNKFZXJY-DEOSSOPVSA-N
• XLogP: 5.15
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide (CID 93167252) is N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide is COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccco1.

What is the InChIKey of N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide?

The InChIKey is ZGAREXYNKFZXJY-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34N2O5S/c1-20(2)21-7-9-22(10-8-21)35-19-24-23-12-17-36-26(23)11-14-30(24)27(31)18-29(13-5-15-33-3)28(32)25-6-4-16-34-25/h4,6-10,12,16-17,20,24H,5,11,13-15,18-19H2,1-3H3/t24-/m0/s1.

What are the key properties of N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide?

N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 510.66 g/mol, XLogP of 5.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 93167252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).