2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide

C52H59Br2N3O11S2 — CID 158499022

About 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide

2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 158499022) has the molecular formula C52H59Br2N3O11S2 and a molecular weight of 1126.00 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 158499022
• Molecular Formula: C52H59Br2N3O11S2
• Molecular Weight: 1126.00 g/mol
• Exact Mass: 1123.20
• IUPAC Name: 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
• SMILES: COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)s2)cc(OC)c1Br.COc1cc(-c2cccs2)cc(OC)c1Br
• InChI: InChI=1S/C25H26BrNO5S.C15H22N2O4.C12H11BrO2S/c1-29-19-14-17(15-20(30-2)23(19)26)21-8-9-22(33-21)24(28)25(31-3)16-4-6-18(7-5-16)27-10-12-32-13-11-27;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-14-9-6-8(11-4-3-5-16-11)7-10(15-2)12(9)13/h4-9,14-15,25H,10-13H2,1-3H3;4-7,14H,8-11H2,1-3H3;3-7H,1-2H3
• InChIKey: HJQROQAYNBLIMO-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 126.93 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1126.00
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide (CID 158499022) is 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide is COC(C(=O)N(C)OC)c1ccc(N2CCOCC2)cc1.COc1cc(-c2ccc(C(=O)C(OC)c3ccc(N4CCOCC4)cc3)s2)cc(OC)c1Br.COc1cc(-c2cccs2)cc(OC)c1Br.

What is the InChIKey of 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?

The InChIKey is HJQROQAYNBLIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO5S.C15H22N2O4.C12H11BrO2S/c1-29-19-14-17(15-20(30-2)23(19)26)21-8-9-22(33-21)24(28)25(31-3)16-4-6-18(7-5-16)27-10-12-32-13-11-27;1-16(20-3)15(18)14(19-2)12-4-6-13(7-5-12)17-8-10-21-11-9-17;1-14-9-6-8(11-4-3-5-16-11)7-10(15-2)12(9)13/h4-9,14-15,25H,10-13H2,1-3H3;4-7,14H,8-11H2,1-3H3;3-7H,1-2H3.

What are the key properties of 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide?

2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 1126.00 g/mol, XLogP of 11.03, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3,5-dimethoxyphenyl)thiophene;1-[5-(4-bromo-3,5-dimethoxyphenyl)thiophen-2-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone;N,2-dimethoxy-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 158499022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).