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

C27H32N2O4S — CID 93167090

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

N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 93167090) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
• PubChem CID: 93167090
• Molecular Formula: C27H32N2O4S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.21
• IUPAC Name: N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide
• SMILES: CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccco2)C(C)C)cc1
• InChI: InChI=1S/C27H32N2O4S/c1-18(2)20-7-9-21(10-8-20)33-17-23-22-12-15-34-25(22)11-13-28(23)26(30)16-29(19(3)4)27(31)24-6-5-14-32-24/h5-10,12,14-15,18-19,23H,11,13,16-17H2,1-4H3/t23-/m0/s1
• InChIKey: NRKIHXHZKBKJNU-QHCPKHFHSA-N
• XLogP: 5.52
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide (CID 93167090) is N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide.

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

The canonical SMILES for N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(C(=O)c2ccco2)C(C)C)cc1.

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

The InChIKey is NRKIHXHZKBKJNU-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-18(2)20-7-9-21(10-8-20)33-17-23-22-12-15-34-25(22)11-13-28(23)26(30)16-29(19(3)4)27(31)24-6-5-14-32-24/h5-10,12,14-15,18-19,23H,11,13,16-17H2,1-4H3/t23-/m0/s1.

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

N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 93167090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).