N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide

C24H29ClN2O5S — CID 46010030

About N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide

N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46010030) has the molecular formula C24H29ClN2O5S and a molecular weight of 493.03 g/mol. Its IUPAC name is N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 46010030
• Molecular Formula: C24H29ClN2O5S
• Molecular Weight: 493.03 g/mol
• Exact Mass: 492.15
• IUPAC Name: N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
• SMILES: COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(Cl)cc1)CC1CCCO1
• InChI: InChI=1S/C24H29ClN2O5S/c1-30-16-24(29)26(13-19-3-2-11-31-19)14-23(28)27-10-8-22-20(9-12-33-22)21(27)15-32-18-6-4-17(25)5-7-18/h4-7,9,12,19,21H,2-3,8,10-11,13-16H2,1H3
• InChIKey: LTJRFDXRNRZHGA-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.03
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide (CID 46010030) is N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide.

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

The canonical SMILES for N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide is COCC(=O)N(CC(=O)N1CCc2sccc2C1COc1ccc(Cl)cc1)CC1CCCO1.

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

The InChIKey is LTJRFDXRNRZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5S/c1-30-16-24(29)26(13-19-3-2-11-31-19)14-23(28)27-10-8-22-20(9-12-33-22)21(27)15-32-18-6-4-17(25)5-7-18/h4-7,9,12,19,21H,2-3,8,10-11,13-16H2,1H3.

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

N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 493.03 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46010030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).