4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

C26H30N2O4S — CID 1382607

About 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 1382607) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
• PubChem CID: 1382607
• Molecular Formula: C26H30N2O4S
• Molecular Weight: 466.60 g/mol
• Exact Mass: 466.19
• IUPAC Name: 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccccc2OC)N2CCOCC2)cc1
• InChI: InChI=1S/C26H30N2O4S/c1-17-18(2)33-26(27-25(29)19-9-11-20(30-3)12-10-19)23(17)24(28-13-15-32-16-14-28)21-7-5-6-8-22(21)31-4/h5-12,24H,13-16H2,1-4H3,(H,27,29)/t24-/m1/s1
• InChIKey: XLPCZLIXMNIMDM-XMMPIXPASA-N
• XLogP: 5.06
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.60
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?

The IUPAC name of 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 1382607) is 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

What is the SMILES notation for 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?

The canonical SMILES for 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccccc2OC)N2CCOCC2)cc1.

What is the InChIKey of 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?

The InChIKey is XLPCZLIXMNIMDM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-17-18(2)33-26(27-25(29)19-9-11-20(30-3)12-10-19)23(17)24(28-13-15-32-16-14-28)21-7-5-6-8-22(21)31-4/h5-12,24H,13-16H2,1-4H3,(H,27,29)/t24-/m1/s1.

What are the key properties of 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?

4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 1382607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).