N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

C26H25FN2O3S — CID 93168826

About N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide

N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (PubChem CID 93168826) has the molecular formula C26H25FN2O3S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
• PubChem CID: 93168826
• Molecular Formula: C26H25FN2O3S
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.16
• IUPAC Name: N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide
• SMILES: O=C(c1cccc(F)c1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1
• InChI: InChI=1S/C26H25FN2O3S/c27-19-6-4-5-18(15-19)26(31)29(20-9-10-20)16-25(30)28-13-11-24-22(12-14-33-24)23(28)17-32-21-7-2-1-3-8-21/h1-8,12,14-15,20,23H,9-11,13,16-17H2/t23-/m1/s1
• InChIKey: XKEWLXTUDJWWCJ-HSZRJFAPSA-N
• XLogP: 4.70
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The IUPAC name of N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide (CID 93168826) is N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide.

What is the SMILES notation for N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The canonical SMILES for N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is O=C(c1cccc(F)c1)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1.

What is the InChIKey of N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

The InChIKey is XKEWLXTUDJWWCJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25FN2O3S/c27-19-6-4-5-18(15-19)26(31)29(20-9-10-20)16-25(30)28-13-11-24-22(12-14-33-24)23(28)17-32-21-7-2-1-3-8-21/h1-8,12,14-15,20,23H,9-11,13,16-17H2/t23-/m1/s1.

What are the key properties of N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide?

N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide has a molecular weight of 464.56 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-fluoro-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide is sourced from PubChem (CID 93168826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).