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

C26H34N2O4S — CID 93168914

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

3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide (PubChem CID 93168914) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
• PubChem CID: 93168914
• Molecular Formula: C26H34N2O4S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.22
• IUPAC Name: 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
• SMILES: CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H]1CCCO1
• InChI: InChI=1S/C26H34N2O4S/c1-19(2)15-25(29)27(16-21-9-6-13-31-21)17-26(30)28-12-10-24-22(11-14-33-24)23(28)18-32-20-7-4-3-5-8-20/h3-5,7-8,11,14,19,21,23H,6,9-10,12-13,15-18H2,1-2H3/t21-,23+/m0/s1
• InChIKey: OGWGTSNSXQAXPN-JTHBVZDNSA-N
• XLogP: 4.31
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide (CID 93168914) is 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide is CC(C)CC(=O)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1)C[C@@H]1CCCO1.

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

The InChIKey is OGWGTSNSXQAXPN-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-19(2)15-25(29)27(16-21-9-6-13-31-21)17-26(30)28-12-10-24-22(11-14-33-24)23(28)18-32-20-7-4-3-5-8-20/h3-5,7-8,11,14,19,21,23H,6,9-10,12-13,15-18H2,1-2H3/t21-,23+/m0/s1.

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

3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide has a molecular weight of 470.64 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-[(4S)-4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide is sourced from PubChem (CID 93168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).