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

C22H26N2O3S — CID 93168819

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

N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (PubChem CID 93168819) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
• PubChem CID: 93168819
• Molecular Formula: C22H26N2O3S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.17
• IUPAC Name: N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
• SMILES: CCC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C1CC1
• InChI: InChI=1S/C22H26N2O3S/c1-2-21(25)24(16-8-9-16)14-22(26)23-12-10-20-18(11-13-28-20)19(23)15-27-17-6-4-3-5-7-17/h3-7,11,13,16,19H,2,8-10,12,14-15H2,1H3/t19-/m1/s1
• InChIKey: MUEUFQJTMRYSKZ-LJQANCHMSA-N
• XLogP: 3.65
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	3.65
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-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide?

The IUPAC name of N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide (CID 93168819) is N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide.

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

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

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

The InChIKey is MUEUFQJTMRYSKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-21(25)24(16-8-9-16)14-22(26)23-12-10-20-18(11-13-28-20)19(23)15-27-17-6-4-3-5-7-17/h3-7,11,13,16,19H,2,8-10,12,14-15H2,1H3/t19-/m1/s1.

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

N-cyclopropyl-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide has a molecular weight of 398.53 g/mol, XLogP of 3.65, 7 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-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide is sourced from PubChem (CID 93168819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).