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

C26H32N2O3S — CID 46010550

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

N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 46010550) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 46010550
• Molecular Formula: C26H32N2O3S
• Molecular Weight: 452.62 g/mol
• Exact Mass: 452.21
• IUPAC Name: N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide
• SMILES: CC(C)c1ccc(OCC2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C2CC2)cc1
• InChI: InChI=1S/C26H32N2O3S/c1-17(2)18-5-9-21(10-6-18)31-16-23-22-12-14-32-24(22)11-13-27(23)25(29)15-28(20-7-8-20)26(30)19-3-4-19/h5-6,9-10,12,14,17,19-20,23H,3-4,7-8,11,13,15-16H2,1-2H3
• InChIKey: MDGWHGCAAHFCPL-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.62
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide (CID 46010550) is N-cyclopropyl-N-[2-oxo-2-[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-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is CC(C)c1ccc(OCC2c3ccsc3CCN2C(=O)CN(C(=O)C2CC2)C2CC2)cc1.

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

The InChIKey is MDGWHGCAAHFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-17(2)18-5-9-21(10-6-18)31-16-23-22-12-14-32-24(22)11-13-27(23)25(29)15-28(20-7-8-20)26(30)19-3-4-19/h5-6,9-10,12,14,17,19-20,23H,3-4,7-8,11,13,15-16H2,1-2H3.

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

N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 452.62 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-oxo-2-[4-[(4-propan-2-ylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46010550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).