N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane

C80H74N6O16S3 — CID 159547076

About N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane

N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane (PubChem CID 159547076) has the molecular formula C80H74N6O16S3 and a molecular weight of 1471.70 g/mol. Its IUPAC name is N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane.

Molecular Properties

• Compound Name: N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane
• PubChem CID: 159547076
• Molecular Formula: C80H74N6O16S3
• Molecular Weight: 1471.70 g/mol
• Exact Mass: 1470.43
• IUPAC Name: N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane
• SMILES: C.C#Cc1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO.COc1ccc(C(=O)NCC(=O)c2ccnc(-c3csc4c(C)cccc34)c2O)cc1OC
• InChI: InChI=1S/C28H24N2O5S.C26H24N2O6S.C25H22N2O5S.CH4/c1-4-18-12-22(21-16-36-27-17(2)6-5-7-20(21)27)30-23(13-18)24(32)15-29-28(33)19-8-9-25(35-11-10-31)26(14-19)34-3;1-15-4-3-5-18-19(14-35-25(15)18)17-8-9-27-23(24(17)31)20(30)13-28-26(32)16-6-7-21(34-11-10-29)22(12-16)33-2;1-14-5-4-6-16-18(13-33-24(14)16)22-23(29)17(9-10-26-22)19(28)12-27-25(30)15-7-8-20(31-2)21(11-15)32-3;/h1,5-9,12-14,16,31H,10-11,15H2,2-3H3,(H,29,33);3-9,12,14,29,31H,10-11,13H2,1-2H3,(H,28,32);4-11,13,29H,12H2,1-3H3,(H,27,30);1H4
• InChIKey: MEXYIULAABIROL-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 313.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1471.70
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane?

The IUPAC name of N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane (CID 159547076) is N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane.

What is the SMILES notation for N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane?

The canonical SMILES for N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane is C.C#Cc1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2nccc(-c3csc4c(C)cccc34)c2O)ccc1OCCO.COc1ccc(C(=O)NCC(=O)c2ccnc(-c3csc4c(C)cccc34)c2O)cc1OC.

What is the InChIKey of N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane?

The InChIKey is MEXYIULAABIROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5S.C26H24N2O6S.C25H22N2O5S.CH4/c1-4-18-12-22(21-16-36-27-17(2)6-5-7-20(21)27)30-23(13-18)24(32)15-29-28(33)19-8-9-25(35-11-10-31)26(14-19)34-3;1-15-4-3-5-18-19(14-35-25(15)18)17-8-9-27-23(24(17)31)20(30)13-28-26(32)16-6-7-21(34-11-10-29)22(12-16)33-2;1-14-5-4-6-16-18(13-33-24(14)16)22-23(29)17(9-10-26-22)19(28)12-27-25(30)15-7-8-20(31-2)21(11-15)32-3;/h1,5-9,12-14,16,31H,10-11,15H2,2-3H3,(H,29,33);3-9,12,14,29,31H,10-11,13H2,1-2H3,(H,28,32);4-11,13,29H,12H2,1-3H3,(H,27,30);1H4.

What are the key properties of N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane?

N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane has a molecular weight of 1471.70 g/mol, XLogP of 13.46, 25 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-ethynyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-N-[2-[3-hydroxy-4-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide;N-[2-[3-hydroxy-2-(7-methyl-1-benzothiophen-3-yl)-4-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;methane is sourced from PubChem (CID 159547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).