N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

C27H30N2O4S — CID 5159741

About N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide

N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (PubChem CID 5159741) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• PubChem CID: 5159741
• Molecular Formula: C27H30N2O4S
• Molecular Weight: 478.61 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
• SMILES: CCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)C(=O)c1cc(OC)cc(OC)c1
• InChI: InChI=1S/C27H30N2O4S/c1-5-28(27(31)19-14-20(32-3)16-21(15-19)33-4)17-25(30)29-12-10-24-23(11-13-34-24)26(29)22-9-7-6-8-18(22)2/h6-9,11,13-16,26H,5,10,12,17H2,1-4H3
• InChIKey: URFMVKXIQIRBHG-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.61
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The IUPAC name of N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide (CID 5159741) is N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide.

What is the SMILES notation for N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The canonical SMILES for N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is CCN(CC(=O)N1CCc2sccc2C1c1ccccc1C)C(=O)c1cc(OC)cc(OC)c1.

What is the InChIKey of N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

The InChIKey is URFMVKXIQIRBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-5-28(27(31)19-14-20(32-3)16-21(15-19)33-4)17-25(30)29-12-10-24-23(11-13-34-24)26(29)22-9-7-6-8-18(22)2/h6-9,11,13-16,26H,5,10,12,17H2,1-4H3.

What are the key properties of N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide?

N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide has a molecular weight of 478.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3,5-dimethoxy-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 5159741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).