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

C28H32N2O4S — CID 93167082

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

N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 93167082) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 93167082
• Molecular Formula: C28H32N2O4S
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.21
• IUPAC Name: N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
• SMILES: CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(Cc2ccco2)C(=O)C2CC2)cc1
• InChI: InChI=1S/C28H32N2O4S/c1-19(2)20-7-9-22(10-8-20)34-18-25-24-12-15-35-26(24)11-13-30(25)27(31)17-29(28(32)21-5-6-21)16-23-4-3-14-33-23/h3-4,7-10,12,14-15,19,21,25H,5-6,11,13,16-18H2,1-2H3/t25-/m0/s1
• InChIKey: PVWICEVPFRQATM-VWLOTQADSA-N
• XLogP: 5.41
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (CID 93167082) is N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(Cc2ccco2)C(=O)C2CC2)cc1.

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

The InChIKey is PVWICEVPFRQATM-VWLOTQADSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-19(2)20-7-9-22(10-8-20)34-18-25-24-12-15-35-26(24)11-13-30(25)27(31)17-29(28(32)21-5-6-21)16-23-4-3-14-33-23/h3-4,7-10,12,14-15,19,21,25H,5-6,11,13,16-18H2,1-2H3/t25-/m0/s1.

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

N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 492.64 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-N-[2-oxo-2-[(4R)-4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 93167082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).