4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide

C109H107N9O22S4 — CID 158457274

IUPAC4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)CNC(=O)c2ccc(OCCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCN)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/C28H28N2O6S.C27H27N3O5S.C27H26N2O6S.C27H26N2O5S/c1-17-6-4-7-20-21(16-37-27(17)20)22-13-19(34-2)14-23(30-22)24(32)15-29-28(33)18-8-9-25(26(12-18)35-3)36-11-5-10-31;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(30-21)23(31)14-29-27(32)17-7-8-24(35-10-9-28)25(11-17)34-3;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(29-21)23(31)14-28-27(32)17-7-8-24(35-10-9-30)25(11-17)34-3;1-16-11-21(20-15-35-26-17(2)5-4-6-19(20)26)29-22(12-16)23(31)14-28-27(32)18-7-8-24(34-10-9-30)25(13-18)33-3/h4,6-9,12-14,16,31H,5,10-11,15H2,1-3H3,(H,29,33);4-8,11-13,15H,9-10,14,28H2,1-3H3,(H,29,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32)
InChIKeyHESNAEYESOTTKF-UHFFFAOYSA-N
MW2023.36 g/mol
LogP17.75
Rot. Bonds40

About 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide

4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 158457274) has the molecular formula C109H107N9O22S4 and a molecular weight of 2023.36 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID158457274
Molecular FormulaC109H107N9O22S4
Molecular Weight2023.36 g/mol
Exact Mass2021.64
IUPAC Name4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)CNC(=O)c2ccc(OCCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCN)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/C28H28N2O6S.C27H27N3O5S.C27H26N2O6S.C27H26N2O5S/c1-17-6-4-7-20-21(16-37-27(17)20)22-13-19(34-2)14-23(30-22)24(32)15-29-28(33)18-8-9-25(26(12-18)35-3)36-11-5-10-31;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(30-21)23(31)14-29-27(32)17-7-8-24(35-10-9-28)25(11-17)34-3;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(29-21)23(31)14-28-27(32)17-7-8-24(35-10-9-30)25(11-17)34-3;1-16-11-21(20-15-35-26-17(2)5-4-6-19(20)26)29-22(12-16)23(31)14-28-27(32)18-7-8-24(34-10-9-30)25(13-18)33-3/h4,6-9,12-14,16,31H,5,10-11,15H2,1-3H3,(H,29,33);4-8,11-13,15H,9-10,14,28H2,1-3H3,(H,29,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32)
InChIKeyHESNAEYESOTTKF-UHFFFAOYSA-N
XLogP17.75
TPSA424.48 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds40
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002023.36
LogP ≤ 517.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[4-ethyl-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90044461
4-(2-aminoethoxy)-N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-3-methoxybenzamide
CID 90061516
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-4-(3-hydroxypropoxy)-3-methoxybenzamide
CID 90061539
N-[(2R)-6-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061661
N-[(2S)-6-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-1-oxohexan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061677
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-(hydroxymethyl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061721
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061728
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061767
N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-oxobutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061812
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide
CID 90061827
N-[2-[5-ethyl-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061830
N-[(2S)-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-oxobutan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061936

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide (CID 158457274) is 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)CNC(=O)c2ccc(OCCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCN)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(C)cccc23)c1.COc1cc(C(=O)NCC(=O)c2cc(C)cc(-c3csc4c(C)cccc34)n2)ccc1OCCO.
What is the InChIKey of 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is HESNAEYESOTTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6S.C27H27N3O5S.C27H26N2O6S.C27H26N2O5S/c1-17-6-4-7-20-21(16-37-27(17)20)22-13-19(34-2)14-23(30-22)24(32)15-29-28(33)18-8-9-25(26(12-18)35-3)36-11-5-10-31;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(30-21)23(31)14-29-27(32)17-7-8-24(35-10-9-28)25(11-17)34-3;1-16-5-4-6-19-20(15-36-26(16)19)21-12-18(33-2)13-22(29-21)23(31)14-28-27(32)17-7-8-24(35-10-9-30)25(11-17)34-3;1-16-11-21(20-15-35-26-17(2)5-4-6-19(20)26)29-22(12-16)23(31)14-28-27(32)18-7-8-24(34-10-9-30)25(13-18)33-3/h4,6-9,12-14,16,31H,5,10-11,15H2,1-3H3,(H,29,33);4-8,11-13,15H,9-10,14,28H2,1-3H3,(H,29,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32);4-8,11-13,15,30H,9-10,14H2,1-3H3,(H,28,32).
What are the key properties of 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide?
4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 2023.36 g/mol, XLogP of 17.75, 40 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(3-hydroxypropoxy)-3-methoxy-N-[2-[4-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 158457274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).