N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide

C28H32N2O4S — CID 4533020

About N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide

N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide (PubChem CID 4533020) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
• PubChem CID: 4533020
• Molecular Formula: C28H32N2O4S
• Molecular Weight: 492.64 g/mol
• Exact Mass: 492.21
• IUPAC Name: N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
• SMILES: COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)COCc2ccccc2)C(C)C)cc1
• InChI: InChI=1S/C28H32N2O4S/c1-20(2)30(27(32)19-34-18-21-7-5-4-6-8-21)17-26(31)29-15-13-25-24(14-16-35-25)28(29)22-9-11-23(33-3)12-10-22/h4-12,14,16,20,28H,13,15,17-19H2,1-3H3
• InChIKey: PQWIGDQRMJEBMD-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.64
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide?

The IUPAC name of N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide (CID 4533020) is N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide.

What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide?

The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide is COc1ccc(C2c3ccsc3CCN2C(=O)CN(C(=O)COCc2ccccc2)C(C)C)cc1.

What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide?

The InChIKey is PQWIGDQRMJEBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-20(2)30(27(32)19-34-18-21-7-5-4-6-8-21)17-26(31)29-15-13-25-24(14-16-35-25)28(29)22-9-11-23(33-3)12-10-22/h4-12,14,16,20,28H,13,15,17-19H2,1-3H3.

What are the key properties of N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide?

N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide has a molecular weight of 492.64 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide is sourced from PubChem (CID 4533020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).