N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

C24H32N2O5S — CID 93167659

About N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide

N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 93167659) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• PubChem CID: 93167659
• Molecular Formula: C24H32N2O5S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.20
• IUPAC Name: N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
• SMILES: CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)COC
• InChI: InChI=1S/C24H32N2O5S/c1-5-17(2)26(24(28)16-29-3)14-23(27)25-11-9-22-20(10-12-32-22)21(25)15-31-19-8-6-7-18(13-19)30-4/h6-8,10,12-13,17,21H,5,9,11,14-16H2,1-4H3/t17-,21-/m0/s1
• InChIKey: HPLRVEGWWOAYNS-UWJYYQICSA-N
• XLogP: 3.54
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (CID 93167659) is N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C(=O)COC.

What is the InChIKey of N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

The InChIKey is HPLRVEGWWOAYNS-UWJYYQICSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-5-17(2)26(24(28)16-29-3)14-23(27)25-11-9-22-20(10-12-32-22)21(25)15-31-19-8-6-7-18(13-19)30-4/h6-8,10,12-13,17,21H,5,9,11,14-16H2,1-4H3/t17-,21-/m0/s1.

What are the key properties of N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?

N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-butan-2-yl]-2-methoxy-N-[2-[(4R)-4-[(3-methoxyphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 93167659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).