5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen

C24H31N3O6S — CID 142986345

About 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen

5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen (PubChem CID 142986345) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen
• PubChem CID: 142986345
• Molecular Formula: C24H31N3O6S
• Molecular Weight: 489.59 g/mol
• Exact Mass: 489.19
• IUPAC Name: 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen
• SMILES: CCS1(C)CCc2cc(Oc3ccc(C(=O)Nc4c(OC)nc(OC)nc4OC)o3)c(C)cc21.[H][H]
• InChI: InChI=1S/C24H29N3O6S.H2/c1-7-34(6)11-10-15-13-17(14(2)12-18(15)34)33-19-9-8-16(32-19)21(28)25-20-22(29-3)26-24(31-5)27-23(20)30-4;/h8-9,12-13H,7,10-11H2,1-6H3,(H,25,28);1H
• InChIKey: HZAIHRHYMJKVMT-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 104.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.59
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen?

The IUPAC name of 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen (CID 142986345) is 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen?

The canonical SMILES for 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen is CCS1(C)CCc2cc(Oc3ccc(C(=O)Nc4c(OC)nc(OC)nc4OC)o3)c(C)cc21.[H][H].

What is the InChIKey of 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen?

The InChIKey is HZAIHRHYMJKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S.H2/c1-7-34(6)11-10-15-13-17(14(2)12-18(15)34)33-19-9-8-16(32-19)21(28)25-20-22(29-3)26-24(31-5)27-23(20)30-4;/h8-9,12-13H,7,10-11H2,1-6H3,(H,25,28);1H.

What are the key properties of 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen?

5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen has a molecular weight of 489.59 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-ethyl-1,6-dimethyl-2,3-dihydro-1-benzothiophen-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142986345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).